MiMeDB: Showing metabocard for CoA (MMDBc0054400)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:10:52 UTC

Update Date

2024-04-20 06:11:16 UTC

Metabolite ID

MMDBc0054400

Metabolite Identification

Common Name

CoA

Description

Coenzyme A (CoA, CoASH, or HSCoA) is a coenzyme notable for its role in the synthesis and oxidization of fatty acids and the oxidation of pyruvate in the citric acid cycle. It is adapted from beta-mercaptoethylamine, panthothenate, and adenosine triphosphate. It is also a parent compound for other transformation products, including but not limited to, phenylglyoxylyl-CoA, tetracosanoyl-CoA, and 6-hydroxyhex-3-enoyl-CoA. Coenzyme A is synthesized in a five-step process from pantothenate and cysteine. In the first step pantothenate (vitamin B5) is phosphorylated to 4'-phosphopantothenate by the enzyme pantothenate kinase (PanK, CoaA, CoaX). In the second step, a cysteine is added to 4'-phosphopantothenate by the enzyme phosphopantothenoylcysteine synthetase (PPC-DC, CoaB) to form 4'-phospho-N-pantothenoylcysteine (PPC). In the third step, PPC is decarboxylated to 4'-phosphopantetheine by phosphopantothenoylcysteine decarboxylase (CoaC). In the fourth step, 4'-phosphopantetheine is adenylylated to form dephospho-CoA by the enzyme phosphopantetheine adenylyl transferase (CoaD). Finally, dephospho-CoA is phosphorylated using ATP to coenzyme A by the enzyme dephosphocoenzyme A kinase (CoaE). Since coenzyme A is, in chemical terms, a thiol, it can react with carboxylic acids to form thioesters, thus functioning as an acyl group carrier. CoA assists in transferring fatty acids from the cytoplasm to the mitochondria. A molecule of coenzyme A carrying an acetyl group is also referred to as acetyl-CoA. When it is not attached to an acyl group, it is usually referred to as 'CoASH' or 'HSCoA'. Coenzyme A is also the source of the phosphopantetheine group that is added as a prosthetic group to proteins such as acyl carrier proteins and formyltetrahydrofolate dehydrogenase. Acetyl-CoA is an important molecule itself. It is the precursor to HMG CoA which is a vital component in cholesterol and ketone synthesis. Furthermore, it contributes an acetyl group to choline to produce acetylcholine in a reaction catalysed by choline acetyltransferase. Its main task is conveying the carbon atoms within the acetyl group to the citric acid cycle to be oxidized for energy production (Wikipedia ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309182008242D          

 48 50  0  0  1  0            999 V2000
   -0.0980   -6.3885    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7654   -5.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529   -7.1732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4329   -6.3885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1779   -7.1732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1320   -7.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8437  -10.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1009  -10.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5582  -10.8420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2726  -10.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9871  -10.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -9.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2726   -9.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -8.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9587   -8.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2443   -7.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8153   -7.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9423   -6.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1173   -6.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2443   -7.1295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9588   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1009   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -5.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -7.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -5.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -7.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -6.7170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -6.7170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174   -6.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -7.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4878   -8.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -8.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -8.6657    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -9.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -6.1337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -6.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222   -5.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -6.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -7.5107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -5.4662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -6.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -7.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -7.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -6.2731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864  -10.4296    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4 32  1  1  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
 13 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 16 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 21 19  1  0  0  0  0
 19 17  1  0  0  0  0
 17 23  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 30  1  0  0  0  0
 30 24  1  0  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 30 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
 32 25  1  0  0  0  0
 33 36  1  0  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 39  2  0  0  0  0
 42 39  1  0  0  0  0
 43 40  2  0  0  0  0
 44 41  1  0  0  0  0
 43 41  1  0  0  0  0
 45 42  2  0  0  0  0
 46 44  2  0  0  0  0
 47 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END

HMDB0001423
     RDKit          3D
Coenzyme A
 84 86  0  0  0  0  0  0  0  0999 V2000
   -1.9671   -3.8518   -1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7362   -2.5532   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965   -1.9541   -2.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -1.5131   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.1908   -0.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -0.0147    0.5250 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.7030    0.7507   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    1.1597    0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -0.7746    1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -0.2187    2.4823 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.3555    1.2986    2.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -0.7893    4.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -0.6461    1.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5953    0.4167    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395    0.0797    0.3756 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5903    1.2112    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7454    0.6392   -0.3156 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7941    1.5892   -0.4561 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9980    1.3410   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    2.4425   -1.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    3.4307   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4119    4.7434   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6516    5.3168   -0.5169 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.4698    0.4563 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.9433    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    3.6587    0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531    2.8810   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9998   -0.4872    0.6318 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9165   -1.4098    0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6126   -1.0278    0.8544 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3803   -2.2551    0.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -3.5025    1.3073 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1107   -4.5551    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818   -2.9041    2.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -4.3406    0.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2073   -2.8742   -1.4858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6628   -3.5096   -0.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0593   -1.6579   -1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.8664   -2.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1712   -1.3873   -0.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0007   -0.2127   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1217   -0.2334    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9763    0.9948   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5835    1.8845   -0.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1602    1.0965    0.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1160    2.1425    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8330    2.3993   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7609    2.9221   -2.0351 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -3.6804   -1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -4.4915   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -4.4661   -2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -2.2516   -3.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572   -0.8550   -2.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992   -2.3286   -3.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -1.9793    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -0.6213   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.9610    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678   -1.7637    4.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    1.3796    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    0.5507    2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -0.0484   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027    0.3039   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.3556   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3702    5.4653    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8360    5.5851   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    5.6235    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4163   -0.0234    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8344   -1.1153    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778   -1.1119    1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -2.5553    3.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -5.2853    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4174   -3.5567   -2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9544   -4.4279   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4001   -2.0866   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3817    0.7103   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4728   -0.1615   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7034   -1.1439   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6908   -0.1649    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3474    0.2488    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5813    3.1010    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8836    1.9601    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6359    3.1767   -0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3531    1.4534   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1852    4.1621   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 32 35  1  0
  2 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  3 52  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  8 57  1  0
 12 58  1  0
 14 59  1  0
 14 60  1  0
 15 61  1  6
 17 62  1  6
 19 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 28 67  1  1
 29 68  1  0
 30 69  1  1
 34 70  1  0
 35 71  1  0
 36 72  1  6
 37 73  1  0
 40 74  1  0
 41 75  1  0
 41 76  1  0
 42 77  1  0
 42 78  1  0
 45 79  1  0
 46 80  1  0
 46 81  1  0
 47 82  1  0
 47 83  1  0
 48 84  1  0
M  END


  Mrv1652309182008242D          

 48 50  0  0  1  0            999 V2000
   -0.0980   -6.3885    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7654   -5.9037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529   -7.1732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4329   -6.3885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1779   -7.1732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1320   -7.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8437  -10.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1009  -10.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5582  -10.8420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2726  -10.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9871  -10.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -9.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2726   -9.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -8.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9587   -8.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2443   -7.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8153   -7.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9423   -6.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5298   -6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1173   -6.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2443   -7.1295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9588   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1009   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4509   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009   -6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -5.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -7.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -5.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -7.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759   -6.7170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259   -6.7170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174   -6.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -7.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4878   -8.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -8.6657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -8.6657    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -9.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -6.1337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -6.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222   -5.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -6.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2998   -7.5107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -5.4662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -6.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -7.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -7.5106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -6.2731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864  -10.4296    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4 32  1  1  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
 13 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 16 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 21 19  1  0  0  0  0
 19 17  1  0  0  0  0
 17 23  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 30  1  0  0  0  0
 30 24  1  0  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 30 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
 32 25  1  0  0  0  0
 33 36  1  0  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 39  2  0  0  0  0
 42 39  1  0  0  0  0
 43 40  2  0  0  0  0
 44 41  1  0  0  0  0
 43 41  1  0  0  0  0
 45 42  2  0  0  0  0
 46 44  2  0  0  0  0
 47 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054400

> <DATABASE_NAME>
MIME

> <SMILES>
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS

> <INCHI_IDENTIFIER>
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

> <INCHI_KEY>
RGJOEKWQDUBAIZ-IBOSZNHHSA-N

> <FORMULA>
C21H36N7O16P3S

> <MOLECULAR_WEIGHT>
767.534

> <EXACT_MASS>
767.115208365

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
68.20958886884063

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.61

> <JCHEM_LOGP>
-5.722226670490722

> <ALOGPS_LOGS>
-2.22

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.9001207321011595

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8209787810970073

> <JCHEM_PKA_STRONGEST_BASIC>
4.006052953653217

> <JCHEM_POLAR_SURFACE_AREA>
346.5599999999999

> <JCHEM_REFRACTIVITY>
162.74019999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
coenzyme A

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001423
     RDKit          3D
Coenzyme A
 84 86  0  0  0  0  0  0  0  0999 V2000
   -1.9671   -3.8518   -1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7362   -2.5532   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965   -1.9541   -2.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -1.5131   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.1908   -0.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -0.0147    0.5250 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.7030    0.7507   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    1.1597    0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -0.7746    1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -0.2187    2.4823 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.3555    1.2986    2.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -0.7893    4.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -0.6461    1.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5953    0.4167    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395    0.0797    0.3756 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5903    1.2112    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7454    0.6392   -0.3156 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7941    1.5892   -0.4561 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9980    1.3410   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    2.4425   -1.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    3.4307   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4119    4.7434   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6516    5.3168   -0.5169 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.4698    0.4563 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.9433    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    3.6587    0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531    2.8810   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9998   -0.4872    0.6318 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9165   -1.4098    0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6126   -1.0278    0.8544 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3803   -2.2551    0.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -3.5025    1.3073 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1107   -4.5551    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818   -2.9041    2.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -4.3406    0.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2073   -2.8742   -1.4858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6628   -3.5096   -0.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0593   -1.6579   -1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.8664   -2.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1712   -1.3873   -0.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0007   -0.2127   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1217   -0.2334    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9763    0.9948   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5835    1.8845   -0.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1602    1.0965    0.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1160    2.1425    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8330    2.3993   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7609    2.9221   -2.0351 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -3.6804   -1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -4.4915   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -4.4661   -2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -2.2516   -3.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572   -0.8550   -2.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992   -2.3286   -3.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -1.9793    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -0.6213   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.9610    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678   -1.7637    4.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    1.3796    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    0.5507    2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -0.0484   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027    0.3039   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.3556   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3702    5.4653    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8360    5.5851   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    5.6235    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4163   -0.0234    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8344   -1.1153    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778   -1.1119    1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -2.5553    3.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -5.2853    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4174   -3.5567   -2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9544   -4.4279   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4001   -2.0866   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3817    0.7103   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4728   -0.1615   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7034   -1.1439   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6908   -0.1649    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3474    0.2488    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5813    3.1010    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8836    1.9601    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6359    3.1767   -0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3531    1.4534   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1852    4.1621   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 32 35  1  0
  2 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  3 52  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  8 57  1  0
 12 58  1  0
 14 59  1  0
 14 60  1  0
 15 61  1  6
 17 62  1  6
 19 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 28 67  1  1
 29 68  1  0
 30 69  1  1
 34 70  1  0
 35 71  1  0
 36 72  1  6
 37 73  1  0
 40 74  1  0
 41 75  1  0
 41 76  1  0
 42 77  1  0
 42 78  1  0
 45 79  1  0
 46 80  1  0
 46 81  1  0
 47 82  1  0
 47 83  1  0
 48 84  1  0
M  END

HEADER    PROTEIN                                 18-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-SEP-20         0                                  
HETATM    1  C   UNK     0      -0.183 -11.925   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.429 -11.020   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.659 -13.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.675 -11.925   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.199 -13.390   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.246 -14.636   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0     -12.775 -19.469   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -11.388 -20.238   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0     -14.109 -20.238   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0     -15.442 -19.469   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0     -16.776 -20.238   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0     -14.056 -17.159   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -15.442 -17.929   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0     -14.056 -15.619   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0     -16.723 -15.619   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -15.389 -14.848   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -12.722 -13.308   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -14.826 -11.205   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -14.056 -12.538   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -13.286 -11.205   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -15.389 -13.308   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -16.723 -12.538   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0     -11.388 -12.538   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -8.308 -12.538   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -5.228 -12.538   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.848 -10.998   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -9.848 -14.078   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.768 -10.998   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.768 -14.078   0.000  0.00  0.00           O+0
HETATM   30  P   UNK     0      -9.848 -12.538   0.000  0.00  0.00           P+0
HETATM   31  P   UNK     0      -6.768 -12.538   0.000  0.00  0.00           P+0
HETATM   32  C   UNK     0      -4.139 -11.450   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -3.104 -14.636   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.644 -16.176   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.564 -16.176   0.000  0.00  0.00           O+0
HETATM   36  P   UNK     0      -3.104 -16.176   0.000  0.00  0.00           P+0
HETATM   37  O   UNK     0      -3.104 -17.716   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0       1.282 -11.450   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0       2.426 -12.480   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.908 -10.043   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.760 -11.710   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0       2.426 -14.020   0.000  0.00  0.00           N+0
HETATM   43  N   UNK     0       3.440 -10.204   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0       5.094 -12.480   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       3.760 -14.790   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0       5.094 -14.020   0.000  0.00  0.00           N+0
HETATM   47  N   UNK     0       6.427 -11.710   0.000  0.00  0.00           N+0
HETATM   48  S   UNK     0     -10.055 -19.469   0.000  0.00  0.00           S+0
CONECT    1   38    2    3                                                  
CONECT    2    1    4                                                       
CONECT    3    1    5    6                                                  
CONECT    4    2   32    5                                                  
CONECT    5    3    4   33                                                  
CONECT    6    3                                                            
CONECT    7    9    8                                                       
CONECT    8    7   48                                                       
CONECT    9   10    7                                                       
CONECT   10   13    9   11                                                  
CONECT   11   10                                                            
CONECT   12   14   13                                                       
CONECT   13   10   12                                                       
CONECT   14   12   16                                                       
CONECT   15   16                                                            
CONECT   16   14   15   21                                                  
CONECT   17   19   23                                                       
CONECT   18   19                                                            
CONECT   19   21   17   18   20                                             
CONECT   20   19                                                            
CONECT   21   16   19   22                                                  
CONECT   22   21                                                            
CONECT   23   17   30                                                       
CONECT   24   30   31                                                       
CONECT   25   31   32                                                       
CONECT   26   30                                                            
CONECT   27   30                                                            
CONECT   28   31                                                            
CONECT   29   31                                                            
CONECT   30   23   24   26   27                                             
CONECT   31   24   25   28   29                                             
CONECT   32    4   25                                                       
CONECT   33    5   36                                                       
CONECT   34   36                                                            
CONECT   35   36                                                            
CONECT   36   33   34   35   37                                             
CONECT   37   36                                                            
CONECT   38    1   39   40                                                  
CONECT   39   38   41   42                                                  
CONECT   40   38   43                                                       
CONECT   41   39   44   43                                                  
CONECT   42   39   45                                                       
CONECT   43   40   41                                                       
CONECT   44   41   46   47                                                  
CONECT   45   42   46                                                       
CONECT   46   44   45                                                       
CONECT   47   44                                                            
CONECT   48    8                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  100    0
END

COMPND    HMDB0001423
HETATM    1  C1  UNL     1      -1.967  -3.852  -1.331  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.736  -2.553  -1.480  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.397  -1.954  -2.854  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.347  -1.513  -0.472  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.997  -1.191  -0.578  1.00  0.00           O  
HETATM    6  P1  UNL     1      -0.512  -0.015   0.525  1.00  0.00           P  
HETATM    7  O2  UNL     1       0.703   0.751  -0.009  1.00  0.00           O  
HETATM    8  O3  UNL     1      -1.705   1.160   0.774  1.00  0.00           O  
HETATM    9  O4  UNL     1      -0.031  -0.775   1.934  1.00  0.00           O  
HETATM   10  P2  UNL     1       1.469  -0.219   2.482  1.00  0.00           P  
HETATM   11  O5  UNL     1       1.356   1.299   2.581  1.00  0.00           O  
HETATM   12  O6  UNL     1       1.706  -0.789   4.063  1.00  0.00           O  
HETATM   13  O7  UNL     1       2.715  -0.646   1.445  1.00  0.00           O  
HETATM   14  C5  UNL     1       3.595   0.417   1.312  1.00  0.00           C  
HETATM   15  C6  UNL     1       4.740   0.080   0.376  1.00  0.00           C  
HETATM   16  O8  UNL     1       5.590   1.211   0.266  1.00  0.00           O  
HETATM   17  C7  UNL     1       6.745   0.639  -0.316  1.00  0.00           C  
HETATM   18  N1  UNL     1       7.794   1.589  -0.456  1.00  0.00           N  
HETATM   19  C8  UNL     1       8.998   1.341  -1.041  1.00  0.00           C  
HETATM   20  N2  UNL     1       9.765   2.443  -1.025  1.00  0.00           N  
HETATM   21  C9  UNL     1       9.083   3.431  -0.432  1.00  0.00           C  
HETATM   22  C10 UNL     1       9.412   4.743  -0.167  1.00  0.00           C  
HETATM   23  N3  UNL     1      10.652   5.317  -0.517  1.00  0.00           N  
HETATM   24  N4  UNL     1       8.467   5.470   0.456  1.00  0.00           N  
HETATM   25  C11 UNL     1       7.277   4.943   0.797  1.00  0.00           C  
HETATM   26  N5  UNL     1       6.952   3.659   0.539  1.00  0.00           N  
HETATM   27  C12 UNL     1       7.853   2.881  -0.082  1.00  0.00           C  
HETATM   28  C13 UNL     1       7.000  -0.487   0.632  1.00  0.00           C  
HETATM   29  O9  UNL     1       7.916  -1.410   0.215  1.00  0.00           O  
HETATM   30  C14 UNL     1       5.613  -1.028   0.854  1.00  0.00           C  
HETATM   31  O10 UNL     1       5.380  -2.255   0.317  1.00  0.00           O  
HETATM   32  P3  UNL     1       5.013  -3.502   1.307  1.00  0.00           P  
HETATM   33  O11 UNL     1       6.111  -4.555   1.434  1.00  0.00           O  
HETATM   34  O12 UNL     1       4.782  -2.904   2.876  1.00  0.00           O  
HETATM   35  O13 UNL     1       3.604  -4.341   0.903  1.00  0.00           O  
HETATM   36  C15 UNL     1      -4.207  -2.874  -1.486  1.00  0.00           C  
HETATM   37  O14 UNL     1      -4.663  -3.510  -0.356  1.00  0.00           O  
HETATM   38  C16 UNL     1      -5.059  -1.658  -1.659  1.00  0.00           C  
HETATM   39  O15 UNL     1      -4.737  -0.866  -2.586  1.00  0.00           O  
HETATM   40  N6  UNL     1      -6.171  -1.387  -0.843  1.00  0.00           N  
HETATM   41  C17 UNL     1      -7.001  -0.213  -0.998  1.00  0.00           C  
HETATM   42  C18 UNL     1      -8.122  -0.233   0.015  1.00  0.00           C  
HETATM   43  C19 UNL     1      -8.976   0.995  -0.161  1.00  0.00           C  
HETATM   44  O16 UNL     1      -8.583   1.885  -0.975  1.00  0.00           O  
HETATM   45  N7  UNL     1     -10.160   1.096   0.576  1.00  0.00           N  
HETATM   46  C20 UNL     1     -11.116   2.143   0.559  1.00  0.00           C  
HETATM   47  C21 UNL     1     -11.833   2.399  -0.710  1.00  0.00           C  
HETATM   48  S1  UNL     1     -10.761   2.922  -2.035  1.00  0.00           S  
HETATM   49  H1  UNL     1      -0.909  -3.680  -1.008  1.00  0.00           H  
HETATM   50  H2  UNL     1      -2.398  -4.491  -0.524  1.00  0.00           H  
HETATM   51  H3  UNL     1      -2.025  -4.466  -2.252  1.00  0.00           H  
HETATM   52  H4  UNL     1      -3.146  -2.252  -3.622  1.00  0.00           H  
HETATM   53  H5  UNL     1      -2.357  -0.855  -2.831  1.00  0.00           H  
HETATM   54  H6  UNL     1      -1.399  -2.329  -3.171  1.00  0.00           H  
HETATM   55  H7  UNL     1      -2.479  -1.979   0.545  1.00  0.00           H  
HETATM   56  H8  UNL     1      -2.994  -0.621  -0.498  1.00  0.00           H  
HETATM   57  H9  UNL     1      -1.565   1.961   0.176  1.00  0.00           H  
HETATM   58  H10 UNL     1       1.868  -1.764   4.086  1.00  0.00           H  
HETATM   59  H11 UNL     1       3.139   1.380   1.080  1.00  0.00           H  
HETATM   60  H12 UNL     1       4.069   0.551   2.329  1.00  0.00           H  
HETATM   61  H13 UNL     1       4.308  -0.048  -0.619  1.00  0.00           H  
HETATM   62  H14 UNL     1       6.403   0.304  -1.317  1.00  0.00           H  
HETATM   63  H15 UNL     1       9.259   0.356  -1.456  1.00  0.00           H  
HETATM   64  H16 UNL     1      11.370   5.465   0.206  1.00  0.00           H  
HETATM   65  H17 UNL     1      10.836   5.585  -1.494  1.00  0.00           H  
HETATM   66  H18 UNL     1       6.583   5.624   1.298  1.00  0.00           H  
HETATM   67  H19 UNL     1       7.416  -0.023   1.574  1.00  0.00           H  
HETATM   68  H20 UNL     1       8.834  -1.115   0.406  1.00  0.00           H  
HETATM   69  H21 UNL     1       5.478  -1.112   1.953  1.00  0.00           H  
HETATM   70  H22 UNL     1       3.890  -2.555   3.028  1.00  0.00           H  
HETATM   71  H23 UNL     1       3.617  -5.285   1.217  1.00  0.00           H  
HETATM   72  H24 UNL     1      -4.417  -3.557  -2.357  1.00  0.00           H  
HETATM   73  H25 UNL     1      -4.954  -4.428  -0.487  1.00  0.00           H  
HETATM   74  H26 UNL     1      -6.400  -2.087  -0.085  1.00  0.00           H  
HETATM   75  H27 UNL     1      -6.382   0.710  -0.801  1.00  0.00           H  
HETATM   76  H28 UNL     1      -7.473  -0.161  -1.995  1.00  0.00           H  
HETATM   77  H29 UNL     1      -8.703  -1.144  -0.097  1.00  0.00           H  
HETATM   78  H30 UNL     1      -7.691  -0.165   1.041  1.00  0.00           H  
HETATM   79  H31 UNL     1     -10.347   0.249   1.246  1.00  0.00           H  
HETATM   80  H32 UNL     1     -10.581   3.101   0.891  1.00  0.00           H  
HETATM   81  H33 UNL     1     -11.884   1.960   1.376  1.00  0.00           H  
HETATM   82  H34 UNL     1     -12.636   3.177  -0.506  1.00  0.00           H  
HETATM   83  H35 UNL     1     -12.353   1.453  -1.028  1.00  0.00           H  
HETATM   84  H36 UNL     1     -10.185   4.162  -1.656  1.00  0.00           H  
CONECT    1    2   49   50   51
CONECT    2    3    4   36
CONECT    3   52   53   54
CONECT    4    5   55   56
CONECT    5    6
CONECT    6    7    7    8    9
CONECT    8   57
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   58
CONECT   13   14
CONECT   14   15   59   60
CONECT   15   16   30   61
CONECT   16   17
CONECT   17   18   28   62
CONECT   18   19   27
CONECT   19   20   20   63
CONECT   20   21
CONECT   21   22   22   27
CONECT   22   23   24
CONECT   23   64   65
CONECT   24   25   25
CONECT   25   26   66
CONECT   26   27   27
CONECT   28   29   30   67
CONECT   29   68
CONECT   30   31   69
CONECT   31   32
CONECT   32   33   33   34   35
CONECT   34   70
CONECT   35   71
CONECT   36   37   38   72
CONECT   37   73
CONECT   38   39   39   40
CONECT   40   41   74
CONECT   41   42   75   76
CONECT   42   43   77   78
CONECT   43   44   44   45
CONECT   45   46   79
CONECT   46   47   80   81
CONECT   47   48   82   83
CONECT   48   84
END

HMDB0001423
     RDKit          3D
Coenzyme A
 84 86  0  0  0  0  0  0  0  0999 V2000
   -1.9671   -3.8518   -1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7362   -2.5532   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3965   -1.9541   -2.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -1.5131   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9969   -1.1908   -0.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -0.0147    0.5250 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.7030    0.7507   -0.0091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    1.1597    0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -0.7746    1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -0.2187    2.4823 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.3555    1.2986    2.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -0.7893    4.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7150   -0.6461    1.4445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5953    0.4167    1.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395    0.0797    0.3756 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5903    1.2112    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7454    0.6392   -0.3156 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7941    1.5892   -0.4561 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9980    1.3410   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    2.4425   -1.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    3.4307   -0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4119    4.7434   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6516    5.3168   -0.5169 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.4698    0.4563 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.9433    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9523    3.6587    0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531    2.8810   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9998   -0.4872    0.6318 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9165   -1.4098    0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6126   -1.0278    0.8544 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3803   -2.2551    0.3171 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0127   -3.5025    1.3073 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1107   -4.5551    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818   -2.9041    2.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -4.3406    0.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2073   -2.8742   -1.4858 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6628   -3.5096   -0.3562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0593   -1.6579   -1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.8664   -2.5864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1712   -1.3873   -0.8426 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0007   -0.2127   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1217   -0.2334    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9763    0.9948   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5835    1.8845   -0.9748 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1602    1.0965    0.5763 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1160    2.1425    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8330    2.3993   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7609    2.9221   -2.0351 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -3.6804   -1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3980   -4.4915   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -4.4661   -2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -2.2516   -3.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572   -0.8550   -2.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3992   -2.3286   -3.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -1.9793    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936   -0.6213   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    1.9610    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678   -1.7637    4.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    1.3796    1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    0.5507    2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -0.0484   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027    0.3039   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.3556   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3702    5.4653    0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8360    5.5851   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    5.6235    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4163   -0.0234    1.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8344   -1.1153    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778   -1.1119    1.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -2.5553    3.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -5.2853    1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4174   -3.5567   -2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9544   -4.4279   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4001   -2.0866   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3817    0.7103   -0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4728   -0.1615   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7034   -1.1439   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6908   -0.1649    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3474    0.2488    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5813    3.1010    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8836    1.9601    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6359    3.1767   -0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3531    1.4534   -1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1852    4.1621   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 17 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 32 35  1  0
  2 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 30 15  1  0
 27 18  1  0
 27 21  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  3 52  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  8 57  1  0
 12 58  1  0
 14 59  1  0
 14 60  1  0
 15 61  1  6
 17 62  1  6
 19 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 28 67  1  1
 29 68  1  0
 30 69  1  1
 34 70  1  0
 35 71  1  0
 36 72  1  6
 37 73  1  0
 40 74  1  0
 41 75  1  0
 41 76  1  0
 42 77  1  0
 42 78  1  0
 45 79  1  0
 46 80  1  0
 46 81  1  0
 47 82  1  0
 47 83  1  0
 48 84  1  0
M  END

Synonyms

Value	Source
3'-Phosphoadenosine-(5')diphospho(4')pantatheine	ChEBI
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate	ChEBI
CoA	ChEBI
CoA-SH	ChEBI
CoASH	ChEBI
Coenzym a	ChEBI
HSCoA	ChEBI
Koenzym a	ChEBI
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphoric acid	Generator
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulphanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate	Generator
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulphanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphoric acid	Generator
a, Coenzyme	HMDB
18-CoA-18-oxo-Dinor-LTB4	HMDB
Acetoacetyl coenzyme A sodium salt	HMDB
CoA Hydrate	HMDB
coenzyme A Hydrate	HMDB
coenzyme A-SH	HMDB
coenzyme ASH	HMDB
Depot-zeel	HMDB
Propionyl CoA	HMDB
Propionyl coenzyme A	HMDB
S-Propanoate	HMDB
S-Propanoate CoA	HMDB
S-Propanoate coenzyme A	HMDB
S-Propanoic acid	HMDB
S-Propionate CoA	HMDB
S-Propionate coenzyme A	HMDB
Zeel	HMDB
Coenzyme A	HMDB

Molecular Formula

C₂₁H₃₆N₇O₁₆P₃S

Average Mass

767.534

Monoisotopic Mass

767.115208365

IUPAC Name

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

Traditional Name

coenzyme A

CAS Registry Number

Not Available

SMILES

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS

InChI Identifier

InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

InChI Key

RGJOEKWQDUBAIZ-IBOSZNHHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Coenzyme A and derivatives

Alternative Parents

Substituents

Coenzyme a or derivatives
Purine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Ribonucleoside 3'-phosphate
Glycosyl compound
N-glycosyl compound
Organic pyrophosphate
Pentose monosaccharide
Monosaccharide phosphate
6-aminopurine
Purine
Imidazopyrimidine
Aminopyrimidine
Monoalkyl phosphate
Organic phosphoric acid derivative
N-substituted imidazole
Phosphoric acid ester
Monosaccharide
Alkyl phosphate
Pyrimidine
Imidolactam
Imidazole
Azole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Alkylthiol
Azacycle
Organoheterocyclic compound
Carboximidic acid
Carboximidic acid derivative
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Primary amine
Organopnictogen compound
Organic oxygen compound
Amine
Organosulfur compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

adenosine 3',5'-bisphosphate (CHEBI:15346 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.64 g/L	ALOGPS
logP	-0.61	ALOGPS
logP	-5.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	0.82	ChemAxon
pKa (Strongest Basic)	4.01	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	346.56 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	162.74 m³·mol⁻¹	ChemAxon
Polarizability	68.21 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9423572000-e15b71f4fd7a2baa5a35	2017-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_7) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_8) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_9) - 70eV, Positive	Not Available	2021-10-18	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-014i-0000000900-7edeffc9e7f47049c6af	2018-05-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-03di-0090200000-1bf2c11b25a8c3f528a7	2018-05-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-03di-0490000000-b4270769e635660752dd	2018-05-25	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0a6r-2212902000-90ae348579cc51120a9e	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-056r-2001913000-b50d7e024246e80562d9	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03dr-2970000000-d446bfcc9dc430d6289c	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03dr-2970000000-b09a59c82e4780263c01	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03dr-2980000000-0f9145a37f1fe6c25789	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-03dr-2980000000-c04f72a5a1e904c02c8c	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-002r-3231905000-7feca024619c398caf0d	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0ar9-1113901000-3774706f7a17e67cc2f1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0570-1011905000-6c36de994b497dccd8ba	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-056r-6432945000-c7d34ae368afb7dbd191	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-0a6r-0101911000-5229e294fd6d738ddaa1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-05xr-2232900000-328eaaff239ce5710aae	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-052f-9437224000-1fef511bd1614c4cc9cf	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-002s-5900000100-c920e6430f49f066a644	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-002r-6910000000-4dcac54e50dd5309af5c	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-002r-8900000000-c9fc1dcc0fa2fecbf2f0	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-6910232700-7e01b474d15249f13f3e	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-2900200000-23c6af6438be416c3b4e	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-057i-6900100000-a9a1d2f2162117f6ad81	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0300000900-b51e1ead5363c1a242a1	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01p9-2940000200-3787799719117e40b9fb	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-1190000000-77d7b4bac6b436184da2	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2018-05-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2018-05-25	View Spectrum

Biological Properties

Cellular Locations

Endoplasmic reticulum
Golgi apparatus
Lysosome
Mitochondria
Nucleus
Peroxisome

Biospecimen Locations

Adipose Tissue
Fibroblasts
Skeletal Muscle

Tissue Locations

Adipose Tissue
Fibroblasts
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191686	ATP-citrate synthase	Enzyme	P53396	Homo sapiens
MMDBp0191687	Histone acetyltransferase p300	Unknown	Q09472	Homo sapiens
MMDBp0191688	Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	Enzyme	P11177	Homo sapiens
MMDBp0191689	Acetyl-CoA acetyltransferase, cytosolic	Enzyme	Q9BWD1	Homo sapiens
MMDBp0191690	CREB-binding protein	Unknown	Q92793	Homo sapiens
MMDBp0191691	Diamine acetyltransferase 2	Enzyme	Q96F10	Homo sapiens
MMDBp0191693	5-aminolevulinate synthase, erythroid-specific, mitochondrial	Unknown	P22557	Homo sapiens
MMDBp0191696	Arylamine N-acetyltransferase 1	Enzyme	P18440	Homo sapiens
MMDBp0191697	Arylamine N-acetyltransferase 2	Enzyme	P11245	Homo sapiens
MMDBp0191698	5-aminolevulinate synthase, nonspecific, mitochondrial	Unknown	P13196	Homo sapiens
MMDBp0191699	General transcription factor 3C polypeptide 4	Enzyme	Q9UKN8	Homo sapiens
MMDBp0191700	Acyl-coenzyme A thioesterase 12	Enzyme	Q8WYK0	Homo sapiens
MMDBp0191701	Choline O-acetyltransferase	Enzyme	P28329	Homo sapiens
MMDBp0191702	Nuclear receptor coactivator 3	Enzyme	Q9Y6Q9	Homo sapiens
MMDBp0191703	Histone acetyltransferase KAT2B	Enzyme	Q92831	Homo sapiens
MMDBp0191704	Carnitine O-acetyltransferase	Enzyme	P43155	Homo sapiens
MMDBp0191705	Diamine acetyltransferase 1	Enzyme	P21673	Homo sapiens
MMDBp0191706	Serotonin N-acetyltransferase	Enzyme	Q16613	Homo sapiens
MMDBp0191707	3-ketoacyl-CoA thiolase, mitochondrial	Enzyme	P42765	Homo sapiens
MMDBp0191708	Testis-specific chromodomain protein Y 1	Enzyme	Q9Y6F8	Homo sapiens
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo sapiens
MMDBp0191710	Histone acetyltransferase KAT5	Enzyme	Q92993	Homo sapiens
MMDBp0191711	Acetyl-coenzyme A synthetase, cytoplasmic	Enzyme	Q9NR19	Homo sapiens
MMDBp0191712	Acetyl-CoA acetyltransferase, mitochondrial	Enzyme	P24752	Homo sapiens
MMDBp0191713	Nuclear receptor coactivator 1	Enzyme	Q15788	Homo sapiens
MMDBp0191714	Hydroxymethylglutaryl-CoA synthase, mitochondrial	Enzyme	P54868	Homo sapiens
MMDBp0191716	Acetyl-coenzyme A synthetase 2-like, mitochondrial	Enzyme	Q9NUB1	Homo sapiens
MMDBp0191717	Citrate synthase, mitochondrial	Enzyme	O75390	Homo sapiens
MMDBp0191718	Testis-specific chromodomain protein Y 2	Enzyme	Q9Y6F7	Homo sapiens
MMDBp0191719	3-ketoacyl-CoA thiolase, peroxisomal	Enzyme	P09110	Homo sapiens
MMDBp0191720	Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial	Enzyme	P08559	Homo sapiens
MMDBp0191722	Trifunctional enzyme subunit beta, mitochondrial	Enzyme	P55084	Homo sapiens
MMDBp0191723	2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial	Enzyme	O75600	Homo sapiens
MMDBp0191724	Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial	Enzyme	P29803	Homo sapiens
MMDBp0191725	Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial	Unknown	Q02252	Homo sapiens
MMDBp0191726	Glucosamine 6-phosphate N-acetyltransferase	Enzyme	Q96EK6	Homo sapiens
MMDBp0191727	Hydroxymethylglutaryl-CoA synthase, cytoplasmic	Enzyme	Q01581	Homo sapiens
MMDBp0191728	Dihydrolipoyl dehydrogenase, mitochondrial	Unknown	P09622	Homo sapiens
MMDBp0191729	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial	Enzyme	P10515	Homo sapiens
MMDBp0191913	Diacylglycerol O-acyltransferase 1	Enzyme	O75907	Homo sapiens
MMDBp0191977	Peroxisomal carnitine O-octanoyltransferase	Enzyme	Q9UKG9	Homo sapiens
MMDBp0191978	Carnitine O-palmitoyltransferase 1, muscle isoform	Enzyme	Q92523	Homo sapiens
MMDBp0191979	Carnitine O-palmitoyltransferase 1, liver isoform	Enzyme	P50416	Homo sapiens
MMDBp0191981	Carnitine O-palmitoyltransferase 2, mitochondrial	Enzyme	P23786	Homo sapiens
MMDBp0191982	Carnitine O-palmitoyltransferase 1, brain isoform	Enzyme	Q8TCG5	Homo sapiens
MMDBp0192065	Malonyl-CoA-acyl carrier protein transacylase, mitochondrial	Enzyme	Q8IVS2	Homo sapiens
MMDBp0192105	2-oxoglutarate dehydrogenase, mitochondrial	Enzyme	Q02218	Homo sapiens
MMDBp0192106	Non-specific lipid-transfer protein	Enzyme	P22307	Homo sapiens
MMDBp0192156	Sterol O-acyltransferase 2	Enzyme	O75908	Homo sapiens
MMDBp0192159	Sterol O-acyltransferase 1	Enzyme	P35610	Homo sapiens
MMDBp0192168	N-acetylglutamate synthase, mitochondrial	Enzyme	Q8N159	Homo sapiens
MMDBp0192196	Bile acid-CoA:amino acid N-acyltransferase	Enzyme	Q14032	Homo sapiens
MMDBp0192214	Long-chain-fatty-acid--CoA ligase 4	Unknown	O60488	Homo sapiens
MMDBp0192221	Long-chain-fatty-acid--CoA ligase 1	Unknown	P33121	Homo sapiens
MMDBp0192264	Long-chain-fatty-acid--CoA ligase 6	Unknown	Q9UKU0	Homo sapiens
MMDBp0192285	Long-chain-fatty-acid--CoA ligase 5	Unknown	Q9ULC5	Homo sapiens
MMDBp0192288	Long-chain-fatty-acid--CoA ligase 3	Unknown	O95573	Homo sapiens
MMDBp0192458	Glycerol-3-phosphate acyltransferase 1, mitochondrial	Enzyme	Q9HCL2	Homo sapiens
MMDBp0192504	Serine palmitoyltransferase 1	Enzyme	O15269	Homo sapiens
MMDBp0192506	Serine palmitoyltransferase 2	Enzyme	O15270	Homo sapiens
MMDBp0192507	Succinyl-CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial	Unknown	P53597	Homo sapiens
MMDBp0192509	Succinyl-CoA ligase [GDP-forming] subunit beta, mitochondrial	Unknown	Q96I99	Homo sapiens
MMDBp0192528	3-hydroxy-3-methylglutaryl-coenzyme A reductase	Enzyme	P04035	Homo sapiens
MMDBp0192557	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial	Enzyme	P36957	Homo sapiens
MMDBp0192583	Succinyl-CoA ligase [ADP-forming] subunit beta, mitochondrial	Unknown	Q9P2R7	Homo sapiens
MMDBp0192655	Cytosolic acyl coenzyme A thioester hydrolase	Enzyme	O00154	Homo sapiens
MMDBp0192656	Acyl-coenzyme A thioesterase 2, mitochondrial	Enzyme	P49753	Homo sapiens
MMDBp0192657	Acyl-coenzyme A thioesterase 4	Enzyme	Q8N9L9	Homo sapiens
MMDBp0192658	Acyl-coenzyme A thioesterase 8	Enzyme	O14734	Homo sapiens
MMDBp0192659	Palmitoyl-protein thioesterase 1	Enzyme	P50897	Homo sapiens
MMDBp0192660	Lysosomal thioesterase PPT2	Enzyme	Q9UMR5	Homo sapiens
MMDBp0193098	Dihydroxyacetone phosphate acyltransferase	Enzyme	O15228	Homo sapiens
MMDBp0193131	1-acyl-sn-glycerol-3-phosphate acyltransferase gamma	Enzyme	Q9NRZ7	Homo sapiens
MMDBp0193132	Glycylpeptide N-tetradecanoyltransferase 1	Enzyme	P30419	Homo sapiens
MMDBp0193133	1-acyl-sn-glycerol-3-phosphate acyltransferase beta	Enzyme	O15120	Homo sapiens
MMDBp0193134	Glycylpeptide N-tetradecanoyltransferase 2	Enzyme	O60551	Homo sapiens
MMDBp0193135	1-acyl-sn-glycerol-3-phosphate acyltransferase alpha	Enzyme	Q99943	Homo sapiens
MMDBp0193312	Bifunctional coenzyme A synthase	Enzyme	Q13057	Homo sapiens
MMDBp0193343	Very long-chain acyl-CoA synthetase	Enzyme	O14975	Homo sapiens
MMDBp0193570	Histone acetyltransferase KAT2A	Enzyme	Q92830	Homo sapiens
MMDBp0193670	Ceramide synthase 1	Enzyme	P27544	Homo sapiens
MMDBp0193755	Phosphatidylinositol-glycan biosynthesis class W protein	Enzyme	Q7Z7B1	Homo sapiens
MMDBp0193760	1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon	Enzyme	Q9NUQ2	Homo sapiens
MMDBp0193786	Bile acyl-CoA synthetase	Enzyme	Q9Y2P5	Homo sapiens
MMDBp0193802	Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial	Enzyme	P11182	Homo sapiens
MMDBp0193807	2-acylglycerol O-acyltransferase 2	Enzyme	Q3SYC2	Homo sapiens
MMDBp0193899	Glycerol-3-phosphate acyltransferase 4	Enzyme	Q86UL3	Homo sapiens
MMDBp0193959	Acetoacetyl-CoA synthetase	Enzyme	Q86V21	Homo sapiens
MMDBp0193962	Acyl-coenzyme A synthetase ACSM1, mitochondrial	Unknown	Q08AH1	Homo sapiens
MMDBp0193978	Elongation of very long chain fatty acids protein 4	Enzyme	Q9GZR5	Homo sapiens
MMDBp0193979	Diacylglycerol O-acyltransferase 2	Enzyme	Q96PD7	Homo sapiens
MMDBp0193980	1-acyl-sn-glycerol-3-phosphate acyltransferase delta	Enzyme	Q9NRZ5	Homo sapiens
MMDBp0193981	2-acylglycerol O-acyltransferase 1	Enzyme	Q96PD6	Homo sapiens
MMDBp0193982	3-hydroxyisobutyryl-CoA hydrolase, mitochondrial	Enzyme	Q6NVY1	Homo sapiens
MMDBp0194068	Fatty acyl-CoA reductase 1	Enzyme	Q8WVX9	Homo sapiens
MMDBp0194069	Fatty acyl-CoA reductase 2	Enzyme	Q96K12	Homo sapiens
MMDBp0194074	Acyl-CoA wax alcohol acyltransferase 1	Enzyme	Q58HT5	Homo sapiens
MMDBp0194075	Acyl-CoA wax alcohol acyltransferase 2	Enzyme	Q6E213	Homo sapiens
MMDBp0194080	2-acylglycerol O-acyltransferase 3	Enzyme	Q86VF5	Homo sapiens
MMDBp0194083	Lysophospholipid acyltransferase 5	Enzyme	Q6P1A2	Homo sapiens
MMDBp0194085	Lysophosphatidylcholine acyltransferase 1	Unknown	Q8NF37	Homo sapiens
MMDBp0194086	Lysophosphatidylcholine acyltransferase 2	Enzyme	Q7L5N7	Homo sapiens
MMDBp0194104	Lysocardiolipin acyltransferase 1	Enzyme	Q6UWP7	Homo sapiens
MMDBp0194108	Glycerol-3-phosphate acyltransferase 3	Enzyme	Q53EU6	Homo sapiens
MMDBp0194143	Glycine N-acyltransferase	Enzyme	Q6IB77	Homo sapiens
MMDBp0194144	Glycine N-acyltransferase-like protein 1	Enzyme	Q969I3	Homo sapiens
MMDBp0194145	Glycine N-acyltransferase-like protein 2	Enzyme	Q8WU03	Homo sapiens
MMDBp0194156	Arylamine N-acetyltransferase 2	Enzyme	A4Z6T7	Homo sapiens
MMDBp0194181	ACSS2 protein	Enzyme	Q96FY7	Homo sapiens
MMDBp0195070	Acyl-coenzyme A synthetase ACSM6, mitochondrial	Unknown	Q6P461	Homo sapiens
MMDBp0195466	Acyl-coenzyme A synthetase ACSM2A, mitochondrial	Unknown	Q08AH3	Homo sapiens
MMDBp0195467	Acyl-coenzyme A synthetase ACSM2B, mitochondrial	Unknown	Q68CK6	Homo sapiens
MMDBp0195468	Acyl-coenzyme A synthetase ACSM3, mitochondrial	Unknown	Q53FZ2	Homo sapiens
MMDBp0195469	Acyl-coenzyme A synthetase ACSM5, mitochondrial	Unknown	Q6NUN0	Homo sapiens
MMDBp0195732	Serine palmitoyltransferase 3	Enzyme	Q9NUV7	Homo sapiens
MMDBp0195764	Elongator complex protein 3	Unknown	Q9H9T3	Homo sapiens
MMDBp0195852	2-oxoglutarate dehydrogenase-like, mitochondrial	Enzyme	Q9ULD0	Homo sapiens
MMDBp0195868	Acyl-coenzyme A synthetase ACSM4, mitochondrial	Unknown	P0C7M7	Homo sapiens
MMDBp0195915	3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial	Enzyme	Q9NWU1	Homo sapiens
MMDBp0196049	1-acylglycerol-3-phosphate O-acyltransferase 6 (Lysophosphatidic acid acyltransferase, zeta), isoform CRA_b	Enzyme	Q2TU73	Homo sapiens
MMDBp0196149	Histone acetyltransferase KAT6B	Enzyme	Q8WYB5	Homo sapiens
MMDBp0196150	MYST3 protein	Enzyme	A5PKX7	Homo sapiens
MMDBp0196151	Histone acetyltransferase KAT8	Enzyme	Q9H7Z6	Homo sapiens
MMDBp0196152	Histone acetyltransferase type B catalytic subunit	Enzyme	O14929	Homo sapiens
MMDBp0196213	Malonyl CoA:ACP acyltransferase (Mitochondrial)	Enzyme	B0QY72	Homo sapiens
MMDBp0196217	Glycerol-3-phosphate acyltransferase 2, mitochondrial	Enzyme	Q6NUI2	Homo sapiens
MMDBp0196288	Chromodomain Y-like protein	Enzyme	Q9Y232	Homo sapiens
MMDBp0196494	Ceramide synthase 5	Unknown	Q8N5B7	Homo sapiens
MMDBp0196516	Acyl-coenzyme A thioesterase 1	Enzyme	Q86TX2	Homo sapiens
MMDBp0196517	Cytosolic acyl coenzyme A thioester hydrolase-like	Enzyme	Q6ZUV0	Homo sapiens
MMDBp0196520	Long-chain-fatty-acid--CoA ligase ACSBG2	Enzyme	Q5FVE4	Homo sapiens
MMDBp0196521	Long-chain-fatty-acid--CoA ligase ACSBG1	Enzyme	Q96GR2	Homo sapiens
MMDBp0196554	Elongation of very long chain fatty acids protein 2	Unknown	Q9NXB9	Homo sapiens
MMDBp0196555	Elongation of very long chain fatty acids protein 1	Unknown	Q9BW60	Homo sapiens
MMDBp0196643	L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	Enzyme	Q9NRN7	Homo sapiens
MMDBp0196647	Circadian locomoter output cycles protein kaput	Enzyme	O15516	Homo sapiens
MMDBp0196658	Histone acetyltransferase KAT7	Enzyme	O95251	Homo sapiens
MMDBp0196674	1-acylglycerol-3-phosphate O-acyltransferase ABHD5	Unknown	Q8WTS1
MMDBp0196677	Acyl-coenzyme A thioesterase THEM5	Unknown	Q8N1Q8
MMDBp0196678	Acyl-CoA synthetase short-chain family member 3, mitochondrial	Unknown	Q9H6R3
MMDBp0196702	Alpha-tubulin N-acetyltransferase	Unknown	Q5SQI0
MMDBp0196705	Ceramide synthase 2	Unknown	Q96G23
MMDBp0196706	Ceramide synthase 3	Unknown	Q8IU89
MMDBp0196707	Ceramide synthase 4	Unknown	Q9HA82
MMDBp0196708	Ceramide synthase 6	Unknown	Q6ZMG9
MMDBp0196798	Elongation of very long chain fatty acids protein 3	Unknown	Q9HB03
MMDBp0196799	Elongation of very long chain fatty acids protein 5	Unknown	Q9NYP7
MMDBp0196800	Elongation of very long chain fatty acids protein 6	Unknown	Q9H5J4
MMDBp0196801	Elongation of very long chain fatty acids protein 7	Unknown	A1L3X0
MMDBp0196841	Heparan-alpha-glucosaminide N-acetyltransferase	Unknown	Q68CP4
MMDBp0196859	Histone acetyltransferase KAT6A	Unknown	Q92794
MMDBp0196870	Lysophospholipid acyltransferase 1	Unknown	Q6ZNC8
MMDBp0196871	Lysophospholipid acyltransferase 2	Unknown	Q6ZWT7
MMDBp0196872	Lysophospholipid acyltransferase 7	Unknown	Q96N66
MMDBp0196897	N-alpha-acetyltransferase 10	Unknown	P41227
MMDBp0196898	N-alpha-acetyltransferase 11	Unknown	Q9BSU3
MMDBp0196899	N-alpha-acetyltransferase 20	Unknown	P61599
MMDBp0196900	N-alpha-acetyltransferase 30	Unknown	Q147X3
MMDBp0196901	N-alpha-acetyltransferase 60	Unknown	Q9H7X0
MMDBp0196903	N-acetylaspartate synthetase	Unknown	Q8N9F0
MMDBp0196905	Bifunctional protein NCOAT	Unknown	O60502
MMDBp0196991	Acyl-coenzyme A thioesterase THEM4	Unknown	Q5T1C6
MMDBp0197024	Probable palmitoyltransferase ZDHHC11	Unknown	Q9H8X9
MMDBp0197025	Probable palmitoyltransferase ZDHHC12	Unknown	Q96GR4
MMDBp0197026	Palmitoyltransferase ZDHHC13	Unknown	Q8IUH4
MMDBp0197027	Probable palmitoyltransferase ZDHHC14	Unknown	Q8IZN3
MMDBp0197028	Palmitoyltransferase ZDHHC15	Unknown	Q96MV8
MMDBp0197029	Probable palmitoyltransferase ZDHHC16	Unknown	Q969W1
MMDBp0197030	Palmitoyltransferase ZDHHC17	Unknown	Q8IUH5
MMDBp0197031	Palmitoyltransferase ZDHHC18	Unknown	Q9NUE0
MMDBp0197032	Probable palmitoyltransferase ZDHHC19	Unknown	Q8WVZ1
MMDBp0197033	Probable palmitoyltransferase ZDHHC20	Unknown	Q5W0Z9
MMDBp0197034	Palmitoyltransferase ZDHHC21	Unknown	Q8IVQ6
MMDBp0197035	Putative palmitoyltransferase ZDHHC22	Unknown	Q8N966
MMDBp0197036	Probable palmitoyltransferase ZDHHC23	Unknown	Q8IYP9
MMDBp0197037	Probable palmitoyltransferase ZDHHC24	Unknown	Q6UX98
MMDBp0197038	Probable palmitoyltransferase ZDHHC1	Unknown	Q8WTX9
MMDBp0197039	Palmitoyltransferase ZDHHC2	Unknown	Q9UIJ5
MMDBp0197040	Palmitoyltransferase ZDHHC3	Unknown	Q9NYG2
MMDBp0197041	Probable palmitoyltransferase ZDHHC4	Unknown	Q9NPG8
MMDBp0197042	Palmitoyltransferase ZDHHC5	Unknown	Q9C0B5
MMDBp0197043	Palmitoyltransferase ZDHHC6	Unknown	Q9H6R6
MMDBp0197044	Palmitoyltransferase ZDHHC7	Unknown	Q9NXF8
MMDBp0197045	Probable palmitoyltransferase ZDHHC8	Unknown	Q9ULC8
MMDBp0197046	Palmitoyltransferase ZDHHC9	Unknown	Q9Y397
MMDBp0197047	Probable palmitoyltransferase ZDHHC11B	Unknown	P0C7U3

Human Pathways

Pathways

Name	SMPDB/PathBank
De Novo Triacylglycerol Biosynthesis TG(a-21:0/i-22:0/a-15:0)
De Novo Triacylglycerol Biosynthesis TG(a-21:0/i-22:0/a-17:0)
De Novo Triacylglycerol Biosynthesis TG(a-21:0/i-22:0/a-25:0)
De Novo Triacylglycerol Biosynthesis TG(a-21:0/i-22:0/i-12:0)
De Novo Triacylglycerol Biosynthesis TG(a-21:0/i-22:0/i-13:0)

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0012854	Adenosine triphosphate	Adenosine monophosphate	4-hydroxybenzoate--CoA/benzoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0012864	Acetoacetyl-CoA	(3S)-hydroxy-3-methylglutaryl-CoA	Hydroxymethylglutaryl-CoA synthase erg13A	Synthesis	RHEA	34755880
MMDBr0012865	Acetoacetyl-CoA	(3S)-hydroxy-3-methylglutaryl-CoA	Hydroxymethylglutaryl-CoA synthase erg13A	Synthesis	RHEA	34755880
MMDBr0012882	Acetyl-CoA	CoA	Glucosamine 6-phosphate N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0012893	CoA	benzoyl-CoA	NADH-dependent phenylglyoxylate dehydrogenase subunit gamma	Dehydrogenation	RHEA	34755880
MMDBr0012910	Acetyl-CoA	Acetyl-maltose	Probable maltose O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0012949	2-Aminobenzoic acid	Adenosine monophosphate	Anthranilate--CoA ligase	Ligation	RHEA	34755880
MMDBr0012979	4-Coumaroyl-CoA	Chalconaringenin	Putative chalcone synthase	Synthesis	RHEA	34755880
MMDBr0013051	Acetyl-CoA	CoA	Formate acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0013052	CoA	Acetyl-CoA	PFL-like enzyme TdcE		RHEA	34755880
MMDBr0013064	4-hydroxybenzoyl-CoA	4-Hydroxybenzoic acid	4-hydroxybenzoyl-CoA thioesterase	Hydrolysis	RHEA	34755880
MMDBr0013076	Acetyl-CoA	3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one	Non-reducing polyketide synthase phnA	Synthesis	RHEA	34755880
MMDBr0013077	Acetyl-CoA	3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one	Non-reducing polyketide synthase phnA	Synthesis	RHEA	34755880
MMDBr0013096	Acetyl-CoA	6-methylsalicylate	6-methylsalicylic acid synthase acuA	Synthesis	RHEA	34755880
MMDBr0013097	Acetyl-CoA	6-methylsalicylate	6-methylsalicylic acid synthase acuA	Synthesis	RHEA	34755880
MMDBr0013132	Acetyl-CoA	CoA	Phosphinothricin N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0013163	Glycine	5-Aminolevulinic acid	5-aminolevulinate synthase, mitochondrial	Synthesis	RHEA	34755880
MMDBr0013164	alpha-Ketoglutarate	(2R)-Homocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0013165	alpha-Ketoglutarate	(2R)-Homocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0013184	(S)-2,3,4,5-tetrahydrodipicolinate	CoA	2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0013245	Acetyl-CoA	CoA	L-serine/homoserine O-acetyltransferase	N-Acetylation; Synthesis	RHEA	34755880
MMDBr0013248	Acetyl-CoA	CoA	Bifunctional protein GlmU	N-Acetylation	RHEA	34755880
MMDBr0013322	Choloyl-CoA	Cholic acid	Bile acid CoA-transferase BaiF	Transfer of CoA moiety	RHEA	34755880
MMDBr0013323	Choloyl-CoA	Cholic acid	Bile acid CoA-transferase BaiF	Transfer of CoA moiety	RHEA	34755880
MMDBr0013343	CoA	CoA-disulfide	NAD(P)H coenzyme A polysulfide/persulfide reductase	Redox reaction; Reduction	RHEA	34755880
MMDBr0013344	CoA	CoA-disulfide	Coenzyme A disulfide reductase	Redox reaction; Reduction	RHEA	34755880
MMDBr0013354	Adenosine triphosphate	pimeloyl-CoA	6-carboxyhexanoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0013363	(R)-mevalonate	(3S)-hydroxy-3-methylglutaryl-CoA	Probable 3-hydroxy-3-methylglutaryl-coenzyme A reductase	Reduction	RHEA	34755880
MMDBr0013386	Acetic acid	Acetyl-CoA	Acetate--CoA ligase [ADP-forming]	Ligation	RHEA	34755880
MMDBr0013387	Acetic acid	Acetyl-CoA	Acyl-CoA ligase ppsA	Ligation	RHEA	34755880
MMDBr0013399	L-Arginine	CoA	Arginine N-succinyltransferase	Transfer of succinyl moiety	RHEA	34755880
MMDBr0013424	(3R)-3-hydroxybutanoyl-CoA	3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone	Poly(3-hydroxyalkanoate) polymerase subunit PhaC	Nucleic acid synthesis and/or repair; Synthesis	RHEA	34755880
MMDBr0013481	(R)-mevalonate	(3S)-hydroxy-3-methylglutaryl-CoA	3-hydroxy-3-methylglutaryl-coenzyme A reductase	Reduction	RHEA	34755880
MMDBr0013482	(R)-mevalonate	(3S)-hydroxy-3-methylglutaryl-CoA	3-hydroxy-3-methylglutaryl-coenzyme A reductase 1	Reduction	RHEA	34755880
MMDBr0013483	(3S)-hydroxy-3-methylglutaryl-CoA	(R)-mevalonate	3-hydroxy-3-methylglutaryl-coenzyme A reductase	Reduction	RHEA	34755880
MMDBr0013498	Acetoacetic acid	Acetoacetyl-CoA	Acetoacetyl-coenzyme A synthetase	Synthesis	RHEA	34755880
MMDBr0013530	Acetyl-CoA	CoA	Aminoglycoside N(6')-acetyltransferase type 1	N-Acetylation	RHEA	34755880
MMDBr0013552	Water	CoA	Esterase EstP	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0013553	Water	CoA	Long-chain acyl-CoA thioesterase FadM	Hydrolysis; Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0013575	Acetyl-CoA	Citric acid	Citrate (Re)-synthase	Synthesis	RHEA	34755880
MMDBr0013576	Acetyl-CoA	Citric acid	Citrate (Re)-synthase	Synthesis	RHEA	34755880
MMDBr0013577	Citric acid	Acetyl-CoA	Citrate synthase	Synthesis	RHEA	34755880
MMDBr0013586	Acetyl-CoA	(2S)-4-acetamido-2-aminobutanoic acid	L-2,4-diaminobutyric acid acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0013602	2-Succinylbenzoate	2-Succinylbenzoyl-CoA	2-succinylbenzoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0013625	Acetyl-CoA	CoA	Bifunctional sugar-1-phosphate nucleotidylyltransferase/acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0013642	(S)-2,3,4,5-tetrahydrodipicolinate	(S)-2-succinylamino-6-oxoheptanedioic acid	2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase	Transfer of succinyl moiety	RHEA	34755880
MMDBr0013643	(S)-2,3,4,5-tetrahydrodipicolinate	(S)-2-succinylamino-6-oxoheptanedioic acid	2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase	Transfer of succinyl moiety	RHEA	34755880
MMDBr0013674	Adenosine triphosphate	ADP	Succinate--CoA ligase [ADP-forming] subunit alpha, mitochondrial	Ligation	RHEA	34755880
MMDBr0013685	Acetyl-CoA	CoA	L-amino acid N-acetyltransferase AaaT	Acetylation	RHEA	34755880
MMDBr0013735	Acetyl-CoA	(S)-malate(2-)	Malate synthase	Synthesis	RHEA	34755880
MMDBr0013742	3'-dephospho-CoA	ADP	Dephospho-CoA kinase CAB5	Phosphorylation	RHEA	34755880
MMDBr0013743	3'-dephospho-CoA	ADP	Dephospho-CoA kinase	Phosphorylation	RHEA	34755880
MMDBr0013753	Adenosine triphosphate	Adenosine monophosphate	Oxalate--CoA ligase	Ligation	RHEA	34755880
MMDBr0013766	Acetyl-CoA	chloramphenicol 3-acetic acid	Chloramphenicol acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0013831	Acetyl-CoA	(3R)-citramalic acid	(R)-citramalate synthase	Synthesis	RHEA	34755880
MMDBr0013832	Acetyl-CoA	(3R)-citramalic acid	(R)-citramalate synthase CimA	Synthesis	RHEA	34755880
MMDBr0013863	Ferulic acid	(E)-feruloyl-CoA	Trans-feruloyl-CoA synthase FCS1	Synthesis	RHEA	34755880
MMDBr0013864	Ferulic acid	(E)-feruloyl-CoA	Trans-feruloyl-CoA synthase FCS1	Synthesis	RHEA	34755880
MMDBr0013882	Acetyl-CoA	3-Oxoadipyl-CoA	Beta-ketoadipyl-CoA thiolase	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0013889	Acetyl-CoA	Acetyl phosphate	Phosphate acetyltransferase EutD	N-Acetylation	RHEA	34755880
MMDBr0013890	Acetyl-CoA	Acetyl phosphate	Phosphate acetyltransferase EutD	N-Acetylation	RHEA	34755880
MMDBr0013891	Acetyl phosphate	Acetyl-CoA	Phosphate acetyltransferase EutD	N-Acetylation	RHEA	34755880
MMDBr0013905	(E)-4-coumarate	(E)-4-coumaroyl-CoA	4-coumarate--CoA ligase	Ligation	RHEA	34755880
MMDBr0013913	(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	Arachidonyl-CoA	Medium-chain acyl-CoA ligase Mig	Ligation	RHEA	34755880
MMDBr0013914	(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	Arachidonyl-CoA	Medium-chain acyl-CoA ligase Mig	Ligation	RHEA	34755880
MMDBr0013975	Acetyl-CoA	Acetic acid	Acetyl-CoA hydrolase	Acetylation; Hydrolysis of bond	RHEA	34755880
MMDBr0013983	Adenosine triphosphate	Adenosine monophosphate	4-hydroxybutyrate--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0013984	Adenosine triphosphate	Adenosine monophosphate	Acyl-CoA ligase ppsA	Ligation	RHEA	34755880
MMDBr0014026	Water	CoA	Acyl-coenzyme A:6-aminopenicillanic-acid-acyltransferase 40 kDa form	Acylation	RHEA	34755880
MMDBr0014027	Water	CoA	Acyl-coenzyme A:6-aminopenicillanic-acid-acyltransferase 40 kDa form	Acylation	RHEA	34755880
MMDBr0014029	Acetyl-CoA	L-2-Amino-3-oxobutanoic acid	8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase	Ligation	RHEA	34755880
MMDBr0014038	2-Methyl-3-oxopropanoic acid	Hydrogen Ion	Malonate-semialdehyde dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0014048	3-hydroxy-2-methylpropanoyl-CoA	3-hydroxy-2-methylpropanoic acid	3-hydroxyisobutyryl-CoA hydrolase, mitochondrial	Hydrolysis of bond	RHEA	34755880
MMDBr0014049	butanoyl-CoA	Butanoyl phosphate	Probable phosphate butyryltransferase	Transfer of a phosphate butyryl group	RHEA	34755880
MMDBr0014055	2-phenylacetic acid	Adenosine monophosphate	Phenylacetate-coenzyme A ligase	Ligation	RHEA	34755880
MMDBr0014056	2-phenylacetic acid	Adenosine monophosphate	Phenylacetate-coenzyme A ligase	Ligation	RHEA	34755880
MMDBr0014062	Acetyl-CoA	Acetoacetyl-CoA	Acetyl-CoA acetyltransferase	Acylation; Acetylation	RHEA	34755880
MMDBr0014063	Acetyl-CoA	Acetoacetyl-CoA	Acetyl-CoA acetyltransferase erg10A, mitochondrial	N-Acetylation	RHEA	34755880
MMDBr0014064	Acetoacetyl-CoA	Acetyl-CoA	Acetyl-CoA acetyltransferase erg10A, mitochondrial	N-Acetylation	RHEA	34755880
MMDBr0014073	(R)-Carnitine	CoA	Putative mitochondrial carnitine O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014077	Acetyl-CoA	Adenosine triphosphate	Probable ATP-citrate synthase subunit 1	Synthesis	RHEA	34755880
MMDBr0014111	alpha-Ketoisovaleric acid	2-Isopropylmalic acid	Isopropyl malate synthase AMT7	Synthesis	RHEA	34755880
MMDBr0014112	alpha-Ketoisovaleric acid	2-Isopropylmalic acid	2-isopropylmalate synthase	Synthesis	RHEA	34755880
MMDBr0014164	L-Homoserine	CoA	Homoserine O-succinyltransferase	Transfer of succinyl moiety	RHEA	34755880
MMDBr0014173	CoA	Guanosine diphosphate	Succinate--CoA ligase [GDP-forming] subunit beta	Ligation	RHEA	34755880
MMDBr0014200	Acetyl-CoA	CoA	N(6)-hydroxylysine O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014280	Malonic semialdehyde	Acetyl-CoA	Malonate-semialdehyde dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0014284	(S)-Methylmalonyl-CoA	6-deoxyerythronolide B	6-deoxyerythronolide-B synthase EryA1, modules 1 and 2	Synthesis	RHEA	34755880
MMDBr0014294	4-Hydroxybenzoic acid	4-hydroxybenzoyl-CoA	3-hydroxybenzoate--CoA/4-hydroxybenzoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0014296	gamma-Hydroxybutyrate	4-Hydroxybutyryl-CoA	4-hydroxybutyrate--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0014299	Acetic acid	Acetyl-CoA	Acetyl-coenzyme A synthetase 1	Ligation; Synthesis	RHEA	34755880
MMDBr0014300	Acetic acid	Acetyl-CoA	Acetyl-coenzyme A synthetase 1	Synthesis	RHEA	34755880
MMDBr0014305	4-chlorobenzoic acid	4-chlorobenzoyl-CoA	4-chlorobenzoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0014313	Acetaldehyde	Acetyl-CoA	Acetaldehyde dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0014314	Acetaldehyde	Acetyl-CoA	Propanal dehydrogenase (CoA-propanoylating)	Dehydrogenation	RHEA	34755880
MMDBr0014315	Acetyl-CoA	Acetaldehyde	Aldehyde-alcohol dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0014349	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0014350	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0014382	Water	(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate	2-methylcitrate synthase	Synthesis	RHEA	34755880
MMDBr0014391	Acetyl-CoA	Cephalosporin C	Acetyl-CoA--deacetylcephalosporin C acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014436	Acetyl-CoA	CoA	Amino-acid acetyltransferase	Acetylation; Synthesis	RHEA	34755880
MMDBr0014460	Acetyl-CoA	CoA	Aminoglycoside 2'-N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0014513	3-Hydroxybenzoic acid	3-hydroxybenzoyl-CoA	3-hydroxybenzoate--CoA/4-hydroxybenzoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0014612	3-(hydrohydroxyphosphoryl)pyruvic acid	CoA	2-phosphinomethylmalate synthase	Synthesis	RHEA	34755880
MMDBr0014621	1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside	CoA	Mycothiol acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014624	(S)-malate(2-)	(S)-malyl-CoA	Malate--CoA ligase subunit beta	Ligation	RHEA	34755880
MMDBr0014636	1,4-Dihydroxy-2-naphthoyl-CoA	1,4-Dihydroxy-2-naphthoic acid	1,4-dihydroxy-2-naphthoyl-CoA hydrolase	Hydrolysis of bond	RHEA	34755880
MMDBr0014645	Malonic semialdehyde	Hydrogen Ion	Malonyl CoA reductase (NADP)	Reduction	RHEA	34755880
MMDBr0014646	CoA	Hydrogen Ion	Succinate-semialdehyde dehydrogenase (acetylating)	Dehydrogenation	RHEA	34755880
MMDBr0014654	3-hydroxypropanoic acid	3-Hydroxypropionyl-CoA	3-hydroxypropionyl-coenzyme A synthetase	Synthesis	RHEA	34755880
MMDBr0014659	CoA	Hydrogen Ion	Fatty acyl-CoA reductase	Reduction	RHEA	34755880
MMDBr0014768	Phosphate	CoA	Phosphate propanoyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014769	Phosphate	CoA	Phosphate propanoyltransferase	Transfer of a propanoyl group	RHEA	34755880
MMDBr0014770	CoA	Phosphate	Phosphate propanoyltransferase	Transfer of a propanoyl group	RHEA	34755880
MMDBr0014772	2-oxobutanoic acid	formate	PFL-like enzyme TdcE		RHEA	34755880
MMDBr0014773	2-oxobutanoic acid	formate	PFL-like enzyme TdcE		RHEA	34755880
MMDBr0014792	Acetyl-CoA	CoA	Spermidine N(1)-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014803	Acetyl-CoA	Acetoacetyl-CoA	Acetoacetyl CoA synthase NphT7	Synthesis	RHEA	34755880
MMDBr0014805	Acetyl-CoA	CoA	Spermidine N(1)-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0014843	(R)-Carnitine	(R)-carnitinyl-CoA	Crotonobetaine/carnitine--CoA ligase	Ligation	RHEA	34755880
MMDBr0014847	fluoroacetyl-CoA	CoA	Fluoroacetyl-CoA thioesterase	Hydrolysis	RHEA	34755880
MMDBr0014926	CoA	Hydrogen Ion	Sulfoacetaldehyde dehydrogenase (acylating)	Dehydrogenation	RHEA	34755880
MMDBr0014961	Adenosine triphosphate	Adenosine monophosphate	Crotonobetaine/carnitine--CoA ligase	Ligation	RHEA	34755880
MMDBr0014966	Lauroyl-CoA	CoA	Long-chain fatty acyl-CoA thioesterase FcoT	Hydrolysis	RHEA	34755880
MMDBr0014967	Lauroyl-CoA	CoA	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0014968	Water	CoA	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0014969	Water	CoA	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0014970	Water	CoA	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0014971	Water	CoA	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0015012	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015013	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015044	Chenodeoxycholoyl-CoA	Chenodeoxycholic acid	Bile acid CoA-transferase BaiF	Transfer of CoA moiety	RHEA	34755880
MMDBr0015045	Chenodeoxycholoyl-CoA	Chenodeoxycholic acid	Bile acid CoA-transferase BaiF	Transfer of CoA moiety	RHEA	34755880
MMDBr0015115	Acetyl-CoA	CoA	dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose 3-N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015188	(3S)-3,6-Diaminohexanoate	(3S)-6-acetamido-3-aminohexanoic acid	Beta-lysine N(6)-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015198	Acetyl-CoA	CoA	Spermidine N(1)-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0015208	oleoyl-CoA	PA(16:0/18:1(9Z))	Lysophosphatidic acid:oleoyl-CoA acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015209	oleoyl-CoA	PA(16:0/18:1(9Z))	Lysophosphatidic acid:oleoyl-CoA acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015214	hexacosanoyl-CoA	CoA	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0015215	hexacosanoyl-CoA	CoA	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0015239	Acetyl-CoA	CoA	UDP-2-acetamido-3-amino-2,3-dideoxy-D-glucuronate N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015240	Sphinganine	CoA	Ceramide synthase LAG1	Synthesis	RHEA	34755880
MMDBr0015241	Sphinganine	CoA	Ceramide synthase LAG1	Synthesis	RHEA	34755880
MMDBr0015242	(9Z)-octadecenoic acid	oleoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0015243	(9Z)-octadecenoic acid	oleoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0015244	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015245	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015246	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015247	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015248	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015249	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015250	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015251	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015252	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015253	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015254	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015255	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015256	Myristoleic acid	(9Z)-tetradecenoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015257	Myristoleic acid	(9Z)-tetradecenoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015258	(9Z)-hexadecenoic acid	(9Z)-hexadecenoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015259	(9Z)-hexadecenoic acid	(9Z)-hexadecenoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015260	(9Z,12Z)-octadecadienoic acid	Linoleoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015261	(9Z,12Z)-octadecadienoic acid	Linoleoyl-CoA	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015312	Acetyl-CoA	CoA	UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015313	Acetyl-CoA	CoA	UDP-N-acetylbacillosamine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015328	Acetyl-CoA	CoA	Fumigaclavine B O-acetyltransferase easN	N-Acetylation	RHEA	34755880
MMDBr0015344	Acetyl-CoA	CoA	dTDP-fucosamine acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0015357	Acetyl-CoA	CoA	dTDP-4-amino-4,6-dideoxy-D-glucose acyltransferase	Acylation	RHEA	34755880
MMDBr0015379	2,3-didehydroadipoyl-CoA	3-oxo-5,6-didehydrosuberyl-CoA	3-oxoadipyl-CoA/3-oxo-5,6-dehydrosuberyl-CoA thiolase	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0015398	Hydrogen Ion	3-Oxooctadecanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015399	Hydrogen Ion	3-Oxooctadecanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015400	Hydrogen Ion	3-oxoicosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015401	Hydrogen Ion	3-oxoicosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015403	Eicosanoyl-CoA	3-oxodocosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015404	Eicosanoyl-CoA	3-oxodocosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015434	palmitoyl-CoA	1-hexadecanoyl-sn-glycero-3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015435	palmitoyl-CoA	1-hexadecanoyl-sn-glycero-3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015467	oleoyl-CoA	PC(16:0/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015468	oleoyl-CoA	PC(16:0/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015471	CoA	Hydrogen Ion	Propanal dehydrogenase (CoA-propanoylating)	Dehydrogenation	RHEA	34755880
MMDBr0015472	CoA	Hydrogen Ion	Propanal dehydrogenase (CoA-propanoylating)	Dehydrogenation	RHEA	34755880
MMDBr0015501	Docosanoyl-CoA	3-oxotetracosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015502	Docosanoyl-CoA	3-oxotetracosanoyl-CoA	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0015503	Eicosanoyl-CoA	CoA	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0015504	Eicosanoyl-CoA	CoA	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0015524	1-Pyrroline-5-carboxylic acid	(2S,5S)-trans-Carboxymethylproline	Carboxymethylproline synthase	Synthesis	RHEA	34755880
MMDBr0015541	Acetyl-CoA	CoA	GDP-perosamine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0015551	oleoyl-CoA	PA(18:1(9Z)/18:1(9Z))	Lysophospholipid acyltransferase	Acylation; Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015552	oleoyl-CoA	PA(18:1(9Z)/18:1(9Z))	Lysophospholipid acyltransferase	Acylation; Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015553	oleoyl-CoA	1-heptadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0015554	oleoyl-CoA	1-heptadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0015555	oleoyl-CoA	PA(18:0/18:1(9Z))	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0015556	oleoyl-CoA	PA(18:0/18:1(9Z))	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0015558	Octadecenoyl Coenzyme A	1-Octadecanoyl-sn-glycerol 3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015559	Octadecenoyl Coenzyme A	1-Octadecanoyl-sn-glycerol 3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015560	oleoyl-CoA	1-oleyl-2-lyso-phosphatidate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015561	oleoyl-CoA	1-oleyl-2-lyso-phosphatidate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015562	(9Z)-hexadecenoyl-CoA	PC(16:0/16:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015563	(9Z)-hexadecenoyl-CoA	PC(16:0/16:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015565	oleoyl-CoA	1,2-di-(9Z)-octadecenoyl-sn-glycero-3-phospho-L-serine	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015566	oleoyl-CoA	1,2-di-(9Z)-octadecenoyl-sn-glycero-3-phospho-L-serine	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015573	Isovaleryl-CoA	CoA	Isovaleryl-homoserine lactone synthase	Synthesis	RHEA	34755880
MMDBr0015574	4-Coumaroyl-CoA	CoA	4-coumaroyl-homoserine lactone synthase	Synthesis	RHEA	34755880
MMDBr0015575	oleoyl-CoA	PE(18:1(9Z)/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015576	oleoyl-CoA	PE(18:1(9Z)/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015617	1-Hexadecanol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Acylation	RHEA	34755880
MMDBr0015618	1-Hexadecanol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Acylation	RHEA	34755880
MMDBr0015620	oleoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015621	oleoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015622	1-Hexadecanol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015623	1-Hexadecanol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015633	(S)-malyl-CoA	(S)-malate(2-)	Apparent malate synthase	Synthesis	RHEA	34755880
MMDBr0015669	Hydrogen Ion	3-Oxohexadecanoyl-CoA	Elongation of fatty acids protein 1	Fatty acid elongation	RHEA	34755880
MMDBr0015670	Hydrogen Ion	3-Oxohexadecanoyl-CoA	Elongation of fatty acids protein 1	Fatty acid elongation	RHEA	34755880
MMDBr0015701	oleoyl-CoA	1,2-dioleoylglycerol	Diacylglycerol O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015702	oleoyl-CoA	1,2-dioleoylglycerol	Diacylglycerol O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0015716	decanoyl-CoA	CoA	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis; Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015717	decanoyl-CoA	CoA	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis; Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015719	butanoyl-CoA	butanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0015720	butanoyl-CoA	butanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0015721	Water	CoA	Long-chain fatty acyl-CoA thioesterase FcoT	Hydrolysis	RHEA	34755880
MMDBr0015722	Water	CoA	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0015723	Water	CoA	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0015724	Water	CoA	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0015725	(9Z)-hexadecenoyl-CoA	(9Z)-hexadecenoic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0015726	(9Z)-hexadecenoyl-CoA	(9Z)-hexadecenoic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0015727	oleoyl-CoA	(9Z)-octadecenoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0015728	oleoyl-CoA	(9Z)-octadecenoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0015729	Arachidonyl-CoA	(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0015730	Arachidonyl-CoA	(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0015794	Hydrogen Ion	Carbon dioxide	1,3,6,8-tetrahydroxynaphthalene synthase	Synthesis	RHEA	34755880
MMDBr0015812	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoic acid	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl:CoA ligase	Ligation	RHEA	34755880
MMDBr0015813	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoic acid	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl:CoA ligase	Ligation	RHEA	34755880
MMDBr0015814	2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid	2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA	2-hydroxy-7-methoxy-5-methyl-1-naphthoate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015829	(9Z)-hexadecenoyl-CoA	PE(18:1(9Z)/16:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015830	(9Z)-hexadecenoyl-CoA	PE(18:1(9Z)/16:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015831	LysoPE(18:1(9Z)/0:0)	PE(18:1(9Z)/16:0)	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015832	LysoPE(18:1(9Z)/0:0)	PE(18:1(9Z)/16:0)	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015833	LysoPE(18:1(9Z)/0:0)	PE(18:1(9Z)/14:0)	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015834	LysoPE(18:1(9Z)/0:0)	PE(18:1(9Z)/14:0)	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0015835	Hydrogen Ion	PE(19:1(9Z)/18:0)	Beta-ketodecanoyl-[acyl-carrier-protein] synthase	Synthesis	RHEA	34755880
MMDBr0015836	Hydrogen Ion	PE(19:1(9Z)/18:0)	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0015846	(9Z)-tetradecenoyl-CoA	3-oxo-(11Z)-hexadecenoyl-CoA	Elongation of fatty acids protein 1	Fatty acid elongation	RHEA	34755880
MMDBr0015847	(9Z)-tetradecenoyl-CoA	3-oxo-(11Z)-hexadecenoyl-CoA	Elongation of fatty acids protein 1	Fatty acid elongation	RHEA	34755880
MMDBr0015858	1-oleyl-2-lyso-phosphatidate	PA(16:0/18:1(9Z))	Triacylglycerol lipase 5	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015859	1-oleyl-2-lyso-phosphatidate	PA(16:0/18:1(9Z))	Triacylglycerol lipase 5	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0015870	Acetyl-CoA	5-methyl-1-naphthoic acid	5-methyl-1-naphthoate synthase	Synthesis	RHEA	34755880
MMDBr0015871	Acetyl-CoA	2-hydroxy-5-methyl-1-naphthoic acid	Neocarzinostatin naphthoate synthase	Synthesis	RHEA	34755880
MMDBr0015872	(S)-Methylmalonyl-CoA	Carbon dioxide	Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2	Synthesis	RHEA	34755880
MMDBr0015886	3-Methylthiopropionic acid	3-(methylsulfanyl)propanoyl-CoA	3-methylmercaptopropionyl-CoA ligase	Ligation	RHEA	34755880
MMDBr0015887	(S)-Methylmalonyl-CoA	10-deoxymethynolide	Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2	Synthesis	RHEA	34755880
MMDBr0015895	Lauroyl-CoA	4-hydroxy-6-(2-oxotridecyl)pyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015896	Lauroyl-CoA	4-hydroxy-6-(2-oxotridecyl)pyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015903	Hydrogen Ion	4-hydroxy-6-pentylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015904	Hydrogen Ion	4-hydroxy-6-pentylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015905	Lauroyl-CoA	4-hydroxy-6-undecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015906	Lauroyl-CoA	4-hydroxy-6-undecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0015925	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA ligase FadD17	Ligation	RHEA	34755880
MMDBr0015926	Adenosine triphosphate	Adenosine monophosphate	Medium/long-chain-fatty-acid--CoA ligase FadD17	Ligation	RHEA	34755880
MMDBr0015927	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015928	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase FadD13	Ligation	RHEA	34755880
MMDBr0015929	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0015930	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0015934	5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoic acid	3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]propanoyl-CoA	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl:CoA ligase	Ligation	RHEA	34755880
MMDBr0015935	5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoic acid	3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]propanoyl-CoA	3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl:CoA ligase	Ligation	RHEA	34755880
MMDBr0015940	3-oxochol-4-en-22-oic acid	3-oxochol-4-en-22-oyl-CoA	Steroid-22-oyl-CoA synthetase	Synthesis	RHEA	34755880
MMDBr0015941	3-oxochol-4-en-22-oic acid	3-oxochol-4-en-22-oyl-CoA	Steroid-22-oyl-CoA synthetase	Synthesis	RHEA	34755880
MMDBr0015942	3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oic acid	3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA	Steroid-22-oyl-CoA synthetase	Synthesis	RHEA	34755880
MMDBr0015943	3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oic acid	3-hydroxy-9-oxo-9,10-seco-chola-1,3,5-trien-22-oyl-CoA	Steroid-22-oyl-CoA synthetase	Synthesis	RHEA	34755880
MMDBr0015944	(25S)-3beta-hydroxy-5-cholestenoic acid	(25S)-3beta-hydroxy-5-cholestenoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015945	(25S)-3beta-hydroxy-5-cholestenoic acid	(25S)-3beta-hydroxy-5-cholestenoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0015968	Trehalose	2-O-hexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0015969	Trehalose	2-O-hexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0015970	2-O-hexadecanoyl-alpha,alpha-trehalose	2-O,3-O-dihexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0015971	2-O-hexadecanoyl-alpha,alpha-trehalose	2-O,3-O-dihexadecanoyl-alpha,alpha-trehalose	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0015972	2-O-sulfo-alpha,alpha-trehalose	2-O-sulfo-2'-O-hexadecanoyl-alpha,alpha-trehalose	Trehalose-2-sulfate acyltransferase PapA2	Acylation	RHEA	34755880
MMDBr0015973	2-O-sulfo-alpha,alpha-trehalose	2-O-sulfo-2'-O-hexadecanoyl-alpha,alpha-trehalose	Trehalose-2-sulfate acyltransferase PapA2	Acylation	RHEA	34755880
MMDBr0015974	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015975	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015976	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015977	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015978	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015979	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015980	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015981	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 1	Ligation	RHEA	34755880
MMDBr0015982	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 2	Ligation	RHEA	34755880
MMDBr0015983	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 2	Ligation	RHEA	34755880
MMDBr0015984	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 2	Ligation	RHEA	34755880
MMDBr0015985	Adenosine triphosphate	Adenosine monophosphate	Long-chain-fatty-acid--CoA ligase 2	Ligation	RHEA	34755880
MMDBr0015986	decan-1-ol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015987	decan-1-ol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015989	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015990	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015991	eicosan-1-ol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015992	eicosan-1-ol	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015993	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015994	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015995	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015996	palmitoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015997	(9E)-octadecenoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0015998	(9E)-octadecenoyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0016000	Lauroyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0016001	Lauroyl-CoA	CoA	Phthiocerol/phthiodiolone dimycocerosyl transferase	Diesterification	RHEA	34755880
MMDBr0016002	CoA	Acetyl-CoA	Pyruvate-flavodoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0016006	(9Z)-hexadecenoyl-CoA	1-(9Z-hexadecenoyl)-sn-glycero-3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0016007	(9Z)-hexadecenoyl-CoA	1-(9Z-hexadecenoyl)-sn-glycero-3-phosphate	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0016008	2-methylhexadecanoic acid	2-methylhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016009	2-methylhexadecanoic acid	2-methylhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016010	3-methylundecanoic acid	3-Methylundecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016011	3-methylundecanoic acid	3-Methylundecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016012	12-methyloctadecanoic acid	12-Methyloctadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016013	12-methyloctadecanoic acid	12-Methyloctadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016014	2-hydroxyhexadecanoic acid	2-hydroxyhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0016015	2-hydroxyhexadecanoic acid	2-hydroxyhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0016016	12-methyltridecanoic acid	12-Methyltridecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016017	12-methyltridecanoic acid	12-Methyltridecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016018	12-hydroxyoctadecanoic acid	12-hydroxyoctadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016019	12-hydroxyoctadecanoic acid	12-hydroxyoctadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016020	15-hydroxypentadecanoic acid	15-hydroxypentadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016021	15-hydroxypentadecanoic acid	15-hydroxypentadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016022	16-Hydroxy hexadecanoic acid	16-hydroxyhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016023	16-Hydroxy hexadecanoic acid	16-hydroxyhexadecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0016024	9-decenoic acid	9-decenoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0016025	9-decenoic acid	9-decenoyl-CoA	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0016038	Hydrogen Ion	4-hydroxy-6-pentadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016039	Hydrogen Ion	4-hydroxy-6-pentadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016040	Eicosanoyl-CoA	4-hydroxy-6-nonadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016041	Eicosanoyl-CoA	4-hydroxy-6-nonadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016042	Hydrogen Ion	4-hydroxy-6-(2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016043	Hydrogen Ion	4-hydroxy-6-(2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016044	Hydrogen Ion	4-hydroxy-6-(2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016045	Hydrogen Ion	4-hydroxy-6-(2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016046	Eicosanoyl-CoA	4-hydroxy-6-(2-oxohenicosyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016047	Eicosanoyl-CoA	4-hydroxy-6-(2-oxohenicosyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016048	Hydrogen Ion	4-hydroxy-6-heptadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016049	Hydrogen Ion	4-hydroxy-6-heptadecylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016050	Hydrogen Ion	4-hydroxy-6-heptylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016051	Hydrogen Ion	4-hydroxy-6-heptylpyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016056	Hydrogen Ion	4-hydroxy-5-methyl-6-pentadecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0016057	Hydrogen Ion	4-hydroxy-5-methyl-6-pentadecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0016058	Hydrogen Ion	4-hydroxy-5-methyl-6-heptadecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0016059	Hydrogen Ion	4-hydroxy-5-methyl-6-heptadecylpyran-2-one	Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11	Synthesis	RHEA	34755880
MMDBr0016060	oleoyl-CoA	PE(14:0/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0016061	oleoyl-CoA	PE(14:0/18:1(9Z))	Lysophospholipid acyltransferase	Acylation	RHEA	34755880
MMDBr0016083	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-dodecanoyl-sn-glycero-3-phosphate	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0016084	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-dodecanoyl-sn-glycero-3-phosphate	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0016085	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016086	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016087	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016088	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016089	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016090	1-heptadecanoyl-sn-glycero-3-phosphate	1-heptadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphate	2-acyl-1-lysophosphatidylinositol acyltransferase	Acylation	RHEA	34755880
MMDBr0016095	(3,5-dihydroxyphenyl)acetyl-CoA	2-(3,5-dihydroxyphenyl)-2-oxoacetic acid	(3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase	Oxygenation	RHEA	34755880
MMDBr0016097	Acetyl-CoA	3-hydroxy-2,4-pentanedione 5-phosphate	3-hydroxy-5-phosphonooxypentane-2,4-dione thiolase	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0016099	Hydrogen Ion	(3,5-dihydroxyphenyl)acetyl-CoA	3,5-dihydroxyphenylacetyl-CoA synthase	Synthesis	RHEA	34755880
MMDBr0016102	Oxoadipic acid	(R)-dihomocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0016103	Oxoadipic acid	(R)-dihomocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0016104	2-oxoheptanedioic acid	(R)-trihomocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0016105	2-oxoheptanedioic acid	(R)-trihomocitric acid	Homocitrate synthase AksA	Synthesis	RHEA	34755880
MMDBr0016106	alpha-Linolenic acid	Alpha-Linolenoyl-CoA	Medium-chain acyl-CoA ligase Mig	Ligation	RHEA	34755880
MMDBr0016107	alpha-Linolenic acid	Alpha-Linolenoyl-CoA	Medium-chain acyl-CoA ligase Mig	Ligation	RHEA	34755880
MMDBr0016120	3-(methylsulfanyl)acryloyl-CoA	Acetaldehyde	Methylthioacryloyl-CoA hydratase	Hydration/dehydration of C-O bond	RHEA	34755880
MMDBr0016125	Acetyl-CoA	Carbon monoxide	Acetyl-CoA decarbonylase/synthase complex subunit beta	Dehydrogenation; Synthesis	RHEA	34755880
MMDBr0016167	12-hydroxyoctadecanoyl-CoA	4-hydroxy-6-(11-hydroxyheptadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016168	12-hydroxyoctadecanoyl-CoA	4-hydroxy-6-(11-hydroxyheptadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016169	16-hydroxyhexadecanoyl-CoA	4-hydroxy-6-(15-hydroxypentadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016170	16-hydroxyhexadecanoyl-CoA	4-hydroxy-6-(15-hydroxypentadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016171	9-decenoyl-CoA	4-hydroxy-6-(non-8-en-1-yl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016172	9-decenoyl-CoA	4-hydroxy-6-(non-8-en-1-yl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016173	15-hydroxypentadecanoyl-CoA	4-hydroxy-6-(14-hydroxytetradecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016174	15-hydroxypentadecanoyl-CoA	4-hydroxy-6-(14-hydroxytetradecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016175	2-methylhexadecanoyl-CoA	6-(hexadecan-2-yl)-4-hydroxy-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016176	2-methylhexadecanoyl-CoA	6-(hexadecan-2-yl)-4-hydroxy-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016177	3-Methylundecanoyl-CoA	4-hydroxy-6-(2-methyldecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016178	3-Methylundecanoyl-CoA	4-hydroxy-6-(2-methyldecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016179	12-Methyloctadecanoyl-CoA	4-hydroxy-6-(11-methylheptadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016180	12-Methyloctadecanoyl-CoA	4-hydroxy-6-(11-methylheptadecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016181	12-Methyltridecanoyl-CoA	4-hydroxy-6-(11-methyldodecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016182	12-Methyltridecanoyl-CoA	4-hydroxy-6-(11-methyldodecyl)-pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016185	12-hydroxyoctadecanoyl-CoA	4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016186	12-hydroxyoctadecanoyl-CoA	4-hydroxy-6-(13-hydroxy-2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016187	16-hydroxyhexadecanoyl-CoA	4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016188	16-hydroxyhexadecanoyl-CoA	4-hydroxy-6-(17-hydroxy-2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016189	9-decenoyl-CoA	4-hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016190	9-decenoyl-CoA	4-hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016191	15-hydroxypentadecanoyl-CoA	4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016192	15-hydroxypentadecanoyl-CoA	4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016193	2-methylhexadecanoyl-CoA	4-hydroxy-6-(3-methyl-2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016194	2-methylhexadecanoyl-CoA	4-hydroxy-6-(3-methyl-2-oxoheptadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016195	3-Methylundecanoyl-CoA	4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016196	3-Methylundecanoyl-CoA	4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016197	12-Methyloctadecanoyl-CoA	4-hydroxy-6-(13-methyl-2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016198	12-Methyloctadecanoyl-CoA	4-hydroxy-6-(13-methyl-2-oxononadecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016199	12-Methyltridecanoyl-CoA	4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016200	12-Methyltridecanoyl-CoA	4-hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0016240	3-oxochol-4-en-22-oyl-CoA	3,22-dioxochol-4-en-24-oyl-CoA	Steroid 3-ketoacyl-CoA thiolase	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0016280	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0016281	Adenosine triphosphate	Adenosine monophosphate	Bile acid--coenzyme A ligase	Ligation; Synthesis	RHEA	34755880
MMDBr0016382	Acetyl-CoA	CoA	N-acetyltransferase aca1	Acetylation	RHEA	34755880
MMDBr0016449	(2-aminobenzoyl)acetyl-CoA	2-aminobenzoylacetate	2-aminobenzoylacetyl-CoA thioesterase	Hydrolysis	RHEA	34755880
MMDBr0016471	Acetyl-CoA	3,5-dimethylorsellinate	Non-reducing polyketide synthase adrD	Synthesis	RHEA	34755880
MMDBr0016472	Acetyl-CoA	3,5-dimethylorsellinate	Non-reducing polyketide synthase adrD	Synthesis	RHEA	34755880
MMDBr0016511	Hydrogen Ion	1,3,5-trihydroxybenzene	Phloroglucinol synthase	Synthesis	RHEA	34755880
MMDBr0016513	2-aminobenzoylacetate	2-n-heptyl-4-hydroxyquinoline	2-heptyl-4(1H)-quinolone synthase subunit PqsC	Synthesis	RHEA	34755880
MMDBr0016515	Anthraniloyl-CoA	(2-aminobenzoyl)acetyl-CoA	Anthraniloyl-CoA anthraniloyltransferase	Transfer of an anthraniloyl group	RHEA	34755880
MMDBr0016543	Acetyl-CoA	2-N-acetamidomethylphosphonic acid	Aminoalkylphosphonate N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0016544	(S)-1-aminoethylphosphonic acid	[(1S)-1-acetamidoethyl]phosphonic acid	Aminoalkylphosphonate N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0016545	Acetyl-CoA	(2R)-2-amino-4-oxopentanoic acid	2-amino-4-ketopentanoate thiolase alpha subunit	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0016578	3-phosphonopyruvic acid	(R)-2-(phosphonomethyl)malic acid	2-phosphonomethylmalate synthase	Synthesis	RHEA	34755880
MMDBr0016621	Acetyl-CoA	CoA	L-amino acid N-acyltransferase MnaT	Acylation	RHEA	34755880
MMDBr0016629	Acetoacetyl-CoA	Adenosine monophosphate	Hybrid PKS-NRPS synthetase TAS1	Synthesis	RHEA	34755880
MMDBr0016630	Acetoacetyl-CoA	Adenosine monophosphate	Hybrid PKS-NRPS synthetase TAS1	Synthesis	RHEA	34755880
MMDBr0016766	(3S)-hydroxytetradecanoyl-CoA	(3S)-hydroxytetradecanoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016767	(3S)-hydroxytetradecanoyl-CoA	(3S)-hydroxytetradecanoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016771	(3E,5Z)-tetradecadienoyl-CoA	(3E,5Z)-tetradecadienoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016772	(3E,5Z)-tetradecadienoyl-CoA	(3E,5Z)-tetradecadienoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016773	(3E,5Z)-dodecadienoyl-CoA	(3E,5Z)-dodecadienoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016774	(3E,5Z)-dodecadienoyl-CoA	(3E,5Z)-dodecadienoic acid	Long-chain acyl-CoA thioesterase FadM	Hydrolysis	RHEA	34755880
MMDBr0016775	Water	CoA	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016776	Water	CoA	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016777	4-methylpentanoyl-CoA	4-methylpentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016778	4-methylpentanoyl-CoA	4-methylpentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016782	(3R)-3-hydroxypentanoyl-CoA	(3R)-3-hydroxypentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016783	(3R)-3-hydroxypentanoyl-CoA	(3R)-3-hydroxypentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016785	(3S)-3-hydroxypentanoyl-CoA	(3S)-3-hydroxypentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016786	(3S)-3-hydroxypentanoyl-CoA	(3S)-3-hydroxypentanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0016815	4-Trimethylammoniobutanoic acid	Adenosine monophosphate	Crotonobetaine/carnitine--CoA ligase	Ligation	RHEA	34755880
MMDBr0016817	Acetyl-CoA	CoA	Ethanol acetyltransferase 1	N-Acetylation	RHEA	34755880
MMDBr0016850	(2R)-2-O-[alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glyceric acid	(2R)-2-O-[6-O-octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glyceric acid	Diglucosylglycerate octanoyltransferase	Transfer of a octanoyl group	RHEA	34755880
MMDBr0016855	Acetyl-CoA	CoA	Streptothricin acetyltransferase A	N-Acetylation	RHEA	34755880
MMDBr0016856	Acetyl-CoA	CoA	Streptothricin acetyltransferase A	N-Acetylation	RHEA	34755880
MMDBr0016893	Water	Methylcitric acid	Citrate/2-methylcitrate synthase	Synthesis	RHEA	34755880
MMDBr0016957	gamma-Hydroxybutyrate	4-Hydroxybutyryl-CoA	4-hydroxybutyrate--CoA ligase [ADP-forming]	Ligation	RHEA	34755880
MMDBr0017101	3'-dephospho-CoA	CoA	GTP-dependent dephospho-CoA kinase	Phosphorylation	RHEA	34755880
MMDBr0017123	Acetyl-CoA	CoA	S-(2-succino)cysteine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0017140	Adenosine triphosphate	2-hydroxybenzoyl-CoA	Salicylyl-CoA synthase / salicylate adenylyltransferase	Synthesis	RHEA	34755880
MMDBr0017253	Acetyl-CoA	Carbon dioxide	Conidial pigment polyketide synthase alb1	Synthesis	RHEA	34755880
MMDBr0017254	Acetyl-CoA	Carbon dioxide	Conidial pigment polyketide synthase alb1	Synthesis	RHEA	34755880
MMDBr0017306	Acetyl-CoA	7,9,10-trihydroxy-3-(2-oxopropyl)-1H-benzo[g]isochromen-1-one	Non-reducing polyketide synthase VdtA	Synthesis	RHEA	34755880
MMDBr0017307	Acetyl-CoA	7,9,10-trihydroxy-3-(2-oxopropyl)-1H-benzo[g]isochromen-1-one	Non-reducing polyketide synthase VdtA	Synthesis	RHEA	34755880
MMDBr0017316	Acetyl-CoA	Carbon dioxide	Non-reducing polyketide synthase CTB1	Synthesis	RHEA	34755880
MMDBr0017317	Acetyl-CoA	Carbon dioxide	Non-reducing polyketide synthase CTB1	Synthesis	RHEA	34755880
MMDBr0017325	Acetyl-CoA	Carbon dioxide	Orsellinic acid synthase armB	Synthesis	RHEA	34755880
MMDBr0017326	Acetyl-CoA	Carbon dioxide	Orsellinic acid synthase armB	Synthesis	RHEA	34755880
MMDBr0017329	Acetyl-CoA	5-methylorsellinate	5-methylorsellinic acid synthase	Synthesis	RHEA	34755880
MMDBr0017330	Acetyl-CoA	5-methylorsellinate	5-methylorsellinic acid synthase	Synthesis	RHEA	34755880
MMDBr0017404	Adenosine triphosphate	Adenosine monophosphate	Nicotinic acid-CoA ligase olcI	Ligation	RHEA	34755880
MMDBr0017405	Adenosine triphosphate	Adenosine monophosphate	Nicotinic acid-CoA ligase olcI	Ligation	RHEA	34755880
MMDBr0017406	Hydrogen Ion	4-hydroxy-6-(pyridin-3-yl)-2H-pyran-2-one	Non-reducing polyketide synthase olcA	Synthesis	RHEA	34755880
MMDBr0017407	Hydrogen Ion	4-hydroxy-6-(pyridin-3-yl)-2H-pyran-2-one	Non-reducing polyketide synthase olcA	Synthesis	RHEA	34755880
MMDBr0017418	Acetyl-CoA	3-methylorsellinate	Non-reducing polyketide synthase pkbA	Synthesis	RHEA	34755880
MMDBr0017419	Acetyl-CoA	3-methylorsellinate	Non-reducing polyketide synthase pkbA	Synthesis	RHEA	34755880
MMDBr0017482	(3Z,5E)-dodecadienoyl-CoA	(3Z,5E)-dodecadienoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017483	(3Z,5E)-dodecadienoyl-CoA	(3Z,5E)-dodecadienoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017490	(3R)-3-hydroxybutanoyl-CoA	(R)-3-Hydroxybutyric acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017491	(3R)-3-hydroxybutanoyl-CoA	(R)-3-Hydroxybutyric acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017492	(S)-3-Hydroxybutanoyl-CoA	(S)-3-hydroxybutanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017493	(S)-3-Hydroxybutanoyl-CoA	(S)-3-hydroxybutanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017494	(2E)-Dodecenoyl-CoA	(2E)-dodecenoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017495	(2E)-Dodecenoyl-CoA	(2E)-dodecenoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017496	3-Oxododecanoyl-CoA	3-Oxododecanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017497	3-Oxododecanoyl-CoA	3-Oxododecanoic acid	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0017498	isoamylol	isoamyl acetate	Alcohol O-acetyltransferase 1	N-Acetylation	RHEA	34755880
MMDBr0017499	isoamylol	isoamyl acetate	Alcohol O-acetyltransferase 1	N-Acetylation	RHEA	34755880
MMDBr0017500	11-Octadecenoyl Coenzyme A	Vaccenic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0017501	11-Octadecenoyl Coenzyme A	Vaccenic acid	Thioesterase 1/protease 1/lysophospholipase L1	Hydrolysis	RHEA	34755880
MMDBr0017518	Acetyl-CoA	Chrodrimanin B	Acetyltransferase cdmC	N-Acetylation	RHEA	34755880
MMDBr0017519	Acetyl-CoA	Chrodrimanin B	Acetyltransferase cdmC	N-Acetylation	RHEA	34755880
MMDBr0017528	Hydrogen Ion	(8aS)-octahydroindolizin-1-one	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017529	Hydrogen Ion	(8aS)-octahydroindolizin-1-one	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017565	6-methyl-3,7-dioxodecanedioyl-CoA	4-methyl-5-oxo-octanedioyl-CoA	Steroid 3-ketoacyl-CoA thiolase FadA6	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0017566	6-methyl-3,7-dioxodecanedioyl-CoA	4-methyl-5-oxo-octanedioyl-CoA	Steroid 3-ketoacyl-CoA thiolase FadA6	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0017592	(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid	(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoyl-CoA	Acyl-CoA ligase 891, peroxisomal	Ligation	RHEA	34755880
MMDBr0017593	(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid	(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoyl-CoA	Acyl-CoA ligase 891, peroxisomal	Ligation	RHEA	34755880
MMDBr0017594	Water	CoA	Type I acyl-CoA thioesterase mpaH	Hydrolysis	RHEA	34755880
MMDBr0017595	Water	CoA	Type I acyl-CoA thioesterase mpaH	Hydrolysis	RHEA	34755880
MMDBr0017604	5-Aminopentanoic acid	Carbon dioxide	Polyketide synthase-nonribosomal peptide synthetase TwmB	Synthesis	RHEA	34755880
MMDBr0017605	5-Aminopentanoic acid	Carbon dioxide	Polyketide synthase-nonribosomal peptide synthetase TwmB	Synthesis	RHEA	34755880
MMDBr0017606	5-Aminopentanoic acid	Carbon dioxide	Polyketide synthase-nonribosomal peptide synthetase TwmB	Synthesis	RHEA	34755880
MMDBr0017607	5-Aminopentanoic acid	Carbon dioxide	Polyketide synthase-nonribosomal peptide synthetase TwmB	Synthesis	RHEA	34755880
MMDBr0017626	Acetyl-CoA	Carbon dioxide	Highly reducing polyketide synthase pspA	Synthesis	RHEA	34755880
MMDBr0017627	Acetyl-CoA	Carbon dioxide	Highly reducing polyketide synthase pspA	Synthesis	RHEA	34755880
MMDBr0017628	Acetyl-CoA	Carbon dioxide	Type III polyketide synthase pspB	Synthesis	RHEA	34755880
MMDBr0017629	Acetyl-CoA	Carbon dioxide	Type III polyketide synthase pspB	Synthesis	RHEA	34755880
MMDBr0017646	Hydrogen Ion	(1R,8aS)-octahydroindolizin-1-ol	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017647	Hydrogen Ion	(1R,8aS)-octahydroindolizin-1-ol	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017648	Hydrogen Ion	(1S,8aS)-octahydroindolizin-1-ol	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017649	Hydrogen Ion	(1S,8aS)-octahydroindolizin-1-ol	PKS-NRPS hybrid synthetase swnK	Synthesis	RHEA	34755880
MMDBr0017650	3-hydroxypropanoic acid	3-Hydroxypropionyl-CoA	3-hydroxypropionate--CoA ligase [ADP-forming]	Ligation	RHEA	34755880
MMDBr0017657	(2S,4S)-4-hydroxy-4-methylglutamic acid	(2S)-3-[(2S)-3,5-dioxo-4-[(2E,4R,6R,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid	Trans-enoyl reductase cghC	Reduction; Synthesis	RHEA	34755880
MMDBr0017658	(2S,4S)-4-hydroxy-4-methylglutamic acid	(2S)-3-[(2S)-3,5-dioxo-4-[(2E,4R,6R,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid	Trans-enoyl reductase cghC	Reduction; Synthesis	RHEA	34755880
MMDBr0017661	Adenosine triphosphate	(5S)-5-(2-methylpropyl)-3-[(2E,6R,8E,10E,12E)-6,8,10,12-tetramethyltetradeca-2,8,10,12-tetraenoyl]-2,5-dihydro-1H-pyrrol-2-one	Hybrid PKS-NRPS synthetase mycA	Reduction; Synthesis	RHEA	34755880
MMDBr0017662	Adenosine triphosphate	(5S)-5-(2-methylpropyl)-3-[(2E,6R,8E,10E,12E)-6,8,10,12-tetramethyltetradeca-2,8,10,12-tetraenoyl]-2,5-dihydro-1H-pyrrol-2-one	Hybrid PKS-NRPS synthetase mycA	Reduction; Synthesis	RHEA	34755880
MMDBr0017667	(2S,4R)-4-hydroxy-4-methylglutamic acid	(2R)-3-[(2S)-3,5-dioxo-4-[(2E,4R,6R,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid	Trans-enoyl reductase tasC	Reduction	RHEA	34755880
MMDBr0017668	(2S,4R)-4-hydroxy-4-methylglutamic acid	(2R)-3-[(2S)-3,5-dioxo-4-[(2E,4R,6R,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid	Trans-enoyl reductase tasC	Reduction	RHEA	34755880
MMDBr0017865	Hydrogen Ion	3-oxosphinganine	Serine palmitoyltransferase 1	Transfer of a palmitoyl group	RHEA	34755880
MMDBr0017915	Acetyl-CoA	CoA	Serine acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0017939	(25S)-3-oxocholest-4-en-26-oate	(25S)-3-oxocholest-4-en-26-oyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0017940	(25S)-3-oxocholest-4-en-26-oate	(25S)-3-oxocholest-4-en-26-oyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase	Ligation	RHEA	34755880
MMDBr0017973	Acetyl-CoA	CoA	L-amino acid N-acetyltransferase AaaT	Acetylation; Acylation	RHEA	34755880
MMDBr0017983	L-Methionine	CoA	L-amino acid N-acyltransferase MnaT	Acylation	RHEA	34755880
MMDBr0017984	L-Serine	CoA	Serine O-succinyltransferase	Transfer of a succinyl group	RHEA	34755880
MMDBr0018022	Acetyl-CoA	Carbon dioxide	Cyclo-acetoacetyl-L-tryptophan synthase	Synthesis	RHEA	34755880
MMDBr0018023	Acetyl-CoA	Carbon dioxide	Cyclo-acetoacetyl-L-tryptophan synthase	Synthesis	RHEA	34755880
MMDBr0018024	Acetyl-CoA	(5S)-3-[(2E,6R,8E,10E,12E)-2,6-dimethyltetradeca-2,8,10,12-tetraenoyl]-5-(hydroxymethyl)pyrrolidine-2,4-dione	Trans-enoyl reductase eqxC	Reduction	RHEA	34755880
MMDBr0018025	Acetyl-CoA	(5S)-3-[(2E,6R,8E,10E,12E)-2,6-dimethyltetradeca-2,8,10,12-tetraenoyl]-5-(hydroxymethyl)pyrrolidine-2,4-dione	Trans-enoyl reductase eqxC	Reduction	RHEA	34755880
MMDBr0024354	Hydrogen Ion	Water	Mycocerosic acid synthase	Synthesis	RHEA	34755880
MMDBr0024369	Acetyl-CoA	Hydrogen Ion	Spermidine N(1)-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0024384	Acetyl-CoA	CoA	Polysialic acid O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0024385	Acetyl-CoA	CoA	Polysialic acid O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0024391	alpha-Ketoisovaleric acid	Hydrogen Ion	Ketoisovalerate oxidoreductase subunit VorC	Redox reaction	RHEA	34755880
MMDBr0024401	L-Serine	Hydrogen Ion	Holo-[acyl-carrier-protein] synthase	Dehydrogenation; Synthesis	RHEA	34755880
MMDBr0024403	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0024404	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0024421	Indolepyruvate	Hydrogen Ion	Indolepyruvate oxidoreductase subunit IorA	Redox reaction	RHEA	34755880
MMDBr0024422	Acetyl-CoA	Hydrogen Ion	Aminoglycoside N(3)-acetyltransferase IV	N-Acetylation	RHEA	34755880
MMDBr0024429	Pyruvic acid	Hydrogen Ion	Pyruvate synthase subunit PorB	Redox reaction; Synthesis	RHEA	34755880
MMDBr0024430	Pyruvic acid	Hydrogen Ion	Pyruvate:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024431	Hydrogen Ion	Pyruvic acid	Pyruvate:ferredoxin oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024479	Acetyl-CoA	Hydrogen Ion	Gentamicin 3-N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0024498	Succinyl-CoA	CoA	Multifunctional 2-oxoglutarate metabolism enzyme	Dehydrogenation	RHEA	34755880
MMDBr0024500	Glycerol 3-phosphate	CoA	Glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0024502	Adenosine triphosphate	diphosphate	Long-chain-fatty-acid--CoA ligase FadD15	Hydrolysis; Ligation; Synthesis	RHEA	34755880
MMDBr0024503	Adenosine triphosphate	diphosphate	Long-chain-fatty-acid--CoA ligase FadD15	Hydrolysis; Ligation	RHEA	34755880
MMDBr0024504	CoA	Hydrogen Ion	Long-chain acyl-protein thioester reductase	Reduction	RHEA	34755880
MMDBr0024505	Tetradecanoyl-CoA	Hydrogen Ion	Glycylpeptide N-tetradecanoyltransferase	Transfer of glycylpeptide N-tetradecanoyl group	RHEA	34755880
MMDBr0024506	Tetradecanoyl-CoA	Hydrogen Ion	Glycylpeptide N-tetradecanoyltransferase	Transfer of glycylpeptide N-tetradecanoyl group	RHEA	34755880
MMDBr0024511	Acetyl-CoA	CoA	Galactoside O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0024540	Acetyl-CoA	CoA	Arylamine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0024550	Acetyl-CoA	CoA	Dihydrolipoyllysine-residue acetyltransferase component of acetoin cleaving system	Dehydrogenation	RHEA	34755880
MMDBr0024556	Acetyl-CoA	CoA	Medium-chain fatty acid ethyl ester synthase/esterase 2	Synthesis	RHEA	34755880
MMDBr0024558	alpha-Ketoglutarate	Hydrogen Ion	2-oxoglutarate synthase subunit KorA	Redox reaction; Synthesis	RHEA	34755880
MMDBr0024574	Dihydroxyacetone phosphate	CoA	Glycerol-3-phosphate O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0024601	Hydrogen Ion	Water	Lovastatin nonaketide synthase, enoyl reductase component lovC	Reduction; Synthesis	RHEA	34755880
MMDBr0024608	Isobutyryl-CoA	CoA	Dihydrolipoyllysine-residue acyltransferase component of branched-chain alpha-ketoacid dehydrogenase complex	Dehydrogenation	RHEA	34755880
MMDBr0024655	Acetyl-CoA	CoA	Arylamine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0024665	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0024688	Acetyl-CoA	CoA	3-ketoacyl-CoA thiolase	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0024689	CoA	Acetyl-CoA	Steroid 3-ketoacyl-CoA thiolase FadA6	Carbon‚Äìcarbon-bond formation	RHEA	34755880
MMDBr0024701	Acetyl-CoA	Hydrogen Ion	Histone acetyltransferase rtt109	N-Acetylation	RHEA	34755880
MMDBr0024702	Acetyl-CoA	Hydrogen Ion	Histone acetyltransferase rtt109	N-Acetylation	RHEA	34755880
MMDBr0024723	Hydrogen Ion	Water	Fatty acid synthase beta subunit pkiC	Synthesis	RHEA	34755880
MMDBr0024752	Sphingosine	Hydrogen Ion	Sphingosine N-acyltransferase LAG1	Acylation	RHEA	34755880
MMDBr0024771	2-hydroxyisobutanoyl-CoA	Hydrogen Ion	tRNA(Met) cytidine acetyltransferase TmcA	N-Acetylation	RHEA	34755880
MMDBr0024772	2-hydroxyisobutanoyl-CoA	Hydrogen Ion	tRNA(Met) cytidine acetyltransferase TmcA	N-Acetylation	RHEA	34755880
MMDBr0024894	Hydrogen Ion	Carbon dioxide	Elongation of fatty acids protein 2	Fatty acid elongation	RHEA	34755880
MMDBr0024914	Lanosterin	CoA	Sterol O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0024915	Lanosterin	CoA	Sterol O-acyltransferase 1	Acylation	RHEA	34755880
MMDBr0024916	Ergosterol	CoA	Sterol O-acyltransferase 2	Acylation	RHEA	34755880
MMDBr0024917	Ergosterol	CoA	Sterol O-acyltransferase 2	Acylation	RHEA	34755880
MMDBr0024933	Sphinganine	Hydrogen Ion	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0024934	Sphinganine	Hydrogen Ion	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0024939	Hydrogen Ion	Water	Norsolorinic acid synthase	Synthesis	RHEA	34755880
MMDBr0024944	(4R)-hydroxysphinganine	Hydrogen Ion	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0024945	(4R)-hydroxysphinganine	Hydrogen Ion	Ceramide synthase LAC1	Synthesis	RHEA	34755880
MMDBr0024964	L-Cysteine	CoA	Palmitoyltransferase pfa3	Transfer of a palmitoyl group	RHEA	34755880
MMDBr0024981	oleoyl-CoA	CoA	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0024982	oleoyl-CoA	CoA	1-acyl-sn-glycerol-3-phosphate acyltransferase	Acylation	RHEA	34755880
MMDBr0024983	oleoyl-CoA	CoA	Triacylglycerol lipase 3	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0024984	oleoyl-CoA	CoA	Triacylglycerol lipase 3	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0024985	palmitoyl-CoA	CoA	Triacylglycerol lipase 3	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0024986	palmitoyl-CoA	CoA	Triacylglycerol lipase 3	Lipid (ester bond) hydrolysis	RHEA	34755880
MMDBr0025006	zymosterol	CoA	Sterol O-acyltransferase 2	Acylation	RHEA	34755880
MMDBr0025007	zymosterol	CoA	Sterol O-acyltransferase 2	Acylation	RHEA	34755880
MMDBr0025015	Acetyl-CoA	CoA	Fatty acid synthase beta subunit pkiC	Synthesis	RHEA	34755880
MMDBr0025016	Malonyl-CoA	CoA	Malonyl CoA-acyl carrier protein transacylase	Synthesis	RHEA	34755880
MMDBr0025034	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025035	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025036	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025037	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025038	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025039	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025040	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025041	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025042	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025043	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025044	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025045	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025046	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025047	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025048	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025049	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2	Synthesis	RHEA	34755880
MMDBr0025052	di-mu-Sulfido-diiron(2+)	Hydrogen Ion	2-oxoacid:ferredoxin oxidoreductase subunit alpha	Redox reaction	RHEA	34755880
MMDBr0025096	Hydrogen Ion	Water	Lovastatin diketide synthase lovF	Synthesis	RHEA	34755880
MMDBr0025155	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025156	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025157	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025158	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025159	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025160	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025161	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025162	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	RHEA	34755880
MMDBr0025168	Acetyl-CoA	Hydrogen Ion	Putative [ribosomal protein S5]-alanine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0025169	Acetyl-CoA	Hydrogen Ion	Putative [ribosomal protein S18]-alanine N-acetyltransferase	Acetylation	RHEA	34755880
MMDBr0025170	Acetyl-CoA	Hydrogen Ion	Ribosomal-protein-serine acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025173	Water	Hydrogen Ion	tRNA(Met) cytidine acetyltransferase TmcA	N-Acetylation	RHEA	34755880
MMDBr0025185	Adenosine triphosphate	diphosphate	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0025186	Adenosine triphosphate	diphosphate	Medium/long-chain-fatty-acid--CoA ligase FadD6	Ligation	RHEA	34755880
MMDBr0025202	oleoyl-CoA	TG(18:1(9Z)/18:1(9Z)/18:1(9Z))	Putative diacyglycerol O-acyltransferase Rv3740c	Acylation	RHEA	34755880
MMDBr0025203	oleoyl-CoA	TG(18:1(9Z)/18:1(9Z)/18:1(9Z))	Putative diacyglycerol O-acyltransferase Rv3740c	Acylation	RHEA	34755880
MMDBr0025206	Hydrogen Ion	Carbon dioxide	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0025207	Hydrogen Ion	Carbon dioxide	Alpha-pyrone synthesis polyketide synthase-like Pks18	Synthesis	RHEA	34755880
MMDBr0025209	Acetyl-CoA	Hydrogen Ion	N-acetyltransferase Eis	Acetylation	RHEA	34755880
MMDBr0025210	Acetyl-CoA	Hydrogen Ion	Histone acetyltransferase rtt109	N-Acetylation	RHEA	34755880
MMDBr0025218	L-Serine	Hydrogen Ion	Enterobactin synthase component D	Synthesis	RHEA	34755880
MMDBr0025270	Acetyl-CoA	Hydrogen Ion	L-methionine sulfoximine/L-methionine sulfone acetyltransferase	Acylation	RHEA	34755880
MMDBr0025271	Acetyl-CoA	Hydrogen Ion	L-methionine sulfoximine/L-methionine sulfone acetyltransferase	Acylation	RHEA	34755880
MMDBr0025294	Adenosine triphosphate	diphosphate	4-hydroxybutyrate--CoA ligase 2	Ligation	RHEA	34755880
MMDBr0025295	Adenosine triphosphate	diphosphate	Medium/long-chain-fatty-acid--CoA ligase FadD17	Hydrolysis; Ligation	RHEA	34755880
MMDBr0025296	L-Serine	Hydrogen Ion	Enterobactin synthase component D	Synthesis	RHEA	34755880
MMDBr0025331	Hydrogen Ion	Water	Mycolipanoate synthase	Synthesis	RHEA	34755880
MMDBr0025332	Hydrogen Ion	Water	Mycocerosic acid synthase	Synthesis	RHEA	34755880
MMDBr0025337	Acetyl-CoA	Hydrogen Ion	N-terminal acetyltransferase B complex catalytic subunit naa20	N-Acetylation	RHEA	34755880
MMDBr0025338	Acetyl-CoA	Hydrogen Ion	N-terminal acetyltransferase B complex catalytic subunit naa20	N-Acetylation	RHEA	34755880
MMDBr0025339	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025340	Acetyl-CoA	Hydrogen Ion	N-terminal acetyltransferase B complex catalytic subunit naa20	N-Acetylation	RHEA	34755880
MMDBr0025341	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025342	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025343	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025344	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025345	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025346	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025347	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025348	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase 30	N-Acetylation	RHEA	34755880
MMDBr0025349	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025350	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025351	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase 30	N-Acetylation	RHEA	34755880
MMDBr0025352	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025353	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025354	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025355	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025356	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase RimI	N-Acetylation	RHEA	34755880
MMDBr0025357	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase 40	N-Acetylation	RHEA	34755880
MMDBr0025358	Acetyl-CoA	Hydrogen Ion	N-alpha-acetyltransferase 40	N-Acetylation	RHEA	34755880
MMDBr0025390	Hydrogen Ion	Water	Trans-enoyl reductase bet3	Reduction; Synthesis	RHEA	34755880
MMDBr0025391	Hydrogen Ion	Water	Trans-enoyl reductase bet3	Reduction; Synthesis	RHEA	34755880
MMDBr0025392	Water	Hydrogen Ion	RNA cytidine acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025469	Water	Hydrogen Ion	RNA cytidine acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025470	Crotonoyl-CoA	Hydrogen Ion	Histone acetyltransferase esa1	N-Acetylation	RHEA	34755880
MMDBr0025471	Crotonoyl-CoA	Hydrogen Ion	Histone acetyltransferase esa1	N-Acetylation	RHEA	34755880
MMDBr0025506	Adenosine triphosphate	diphosphate	Very long-chain fatty acid transport protein	Transport	RHEA	34755880
MMDBr0025580	Acetyl-CoA	CoA	Polysialic acid O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025581	Acetyl-CoA	CoA	Polysialic acid O-acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025591	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025592	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025593	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025594	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025595	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025596	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025599	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025600	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025601	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025602	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025644	Hydrogen Ion	Water	Compactin nonaketide synthase, polyketide synthase component	Reduction; Synthesis	RHEA	34755880
MMDBr0025646	Hydrogen Ion	Water	Phenolphthiocerol/phthiocerol polyketide synthase subunit C	Synthesis	RHEA	34755880
MMDBr0025647	Hydrogen Ion	Water	Phenolphthiocerol/phthiocerol polyketide synthase subunit C	Synthesis	RHEA	34755880
MMDBr0025648	Hydrogen Ion	Water	Phenolphthiocerol/phthiocerol polyketide synthase subunit C	Synthesis	RHEA	34755880
MMDBr0025649	Hydrogen Ion	Water	Phenolphthiocerol/phthiocerol polyketide synthase subunit C	Synthesis	RHEA	34755880
MMDBr0025651	Hydrogen Ion	Water	Mycoketide-CoA synthase	Synthesis	RHEA	34755880
MMDBr0025652	Trehalose	CoA	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0025653	Trehalose	CoA	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0025661	Glycerophosphocholine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025668	Hydrogen Ion	Water	Phthioceranic/hydroxyphthioceranic acid synthase	Synthesis	RHEA	34755880
MMDBr0025669	Hydrogen Ion	Water	Phthioceranic/hydroxyphthioceranic acid synthase	Synthesis	RHEA	34755880
MMDBr0025680	L-Serine	CoA	Serine/threonine-protein acetyltransferase YopJ	N-Acetylation	RHEA	34755880
MMDBr0025681	L-Serine	CoA	Serine/threonine-protein acetyltransferase YopJ	N-Acetylation	RHEA	34755880
MMDBr0025698	Octadecenoyl Coenzyme A	Hydrogen Ion	Virulence protein IcsB		RHEA	34755880
MMDBr0025699	Octadecenoyl Coenzyme A	Hydrogen Ion	Virulence protein IcsB		RHEA	34755880
MMDBr0025700	palmitoyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025701	palmitoyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025702	Lauroyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025703	Lauroyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025704	decanoyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025705	decanoyl-CoA	Hydrogen Ion	Multifunctional-autoprocessing repeats-in-toxin		RHEA	34755880
MMDBr0025733	Water	Hydrogen Ion	tRNA uridine(34) acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025734	Water	Hydrogen Ion	tRNA uridine(34) acetyltransferase	N-Acetylation	RHEA	34755880
MMDBr0025772	oleoyl-CoA	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025773	oleoyl-CoA	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025774	sn-glycero-3-phosphoethanolamine	CoA	Glycerophosphocholine acyltransferase 1	Acylation	RHEA	34755880
MMDBr0025830	Acetyl-CoA	Water	Fumigermin synthase	Synthesis	RHEA	34755880
MMDBr0025831	Acetyl-CoA	Water	Fumigermin synthase	Synthesis	RHEA	34755880
MMDBr0025834	Hydrogen Ion	Water	Non-reducing polyketide synthase aptA	Synthesis	RHEA	34755880
MMDBr0025835	Hydrogen Ion	Water	Non-reducing polyketide synthase aptA	Synthesis	RHEA	34755880
MMDBr0025838	Hydrogen Ion	Water	Non-reducing polyketide synthase adaA	Synthesis	RHEA	34755880
MMDBr0025839	Hydrogen Ion	Water	Non-reducing polyketide synthase adaA	Synthesis	RHEA	34755880
MMDBr0025842	Hydrogen Ion	Water	Non-reducing polyketide synthase ptaA	Synthesis	RHEA	34755880
MMDBr0025843	Hydrogen Ion	Water	Non-reducing polyketide synthase ptaA	Synthesis	RHEA	34755880
MMDBr0025852	Hydrogen Ion	Carbon dioxide	Non-reducing polyketide synthase pkgA	Synthesis	RHEA	34755880
MMDBr0025853	Hydrogen Ion	Carbon dioxide	Non-reducing polyketide synthase pkgA	Synthesis	RHEA	34755880
MMDBr0025854	Hydrogen Ion	Carbon dioxide	Non-reducing polyketide synthase pkgA	Synthesis	RHEA	34755880
MMDBr0025855	Hydrogen Ion	Carbon dioxide	Non-reducing polyketide synthase pkgA	Synthesis	RHEA	34755880
MMDBr0025856	Hydrogen Ion	Water	Non-reducing polyketide synthase pkdA	Synthesis	RHEA	34755880
MMDBr0025857	Hydrogen Ion	Water	Non-reducing polyketide synthase pkdA	Synthesis	RHEA	34755880
MMDBr0025858	Hydrogen Ion	Water	Non-reducing polyketide synthase dbaI	Synthesis	RHEA	34755880
MMDBr0025859	Hydrogen Ion	Water	Non-reducing polyketide synthase dbaI	Synthesis	RHEA	34755880
MMDBr0025860	Hydrogen Ion	Water	Iterative polyketide synthase afoE	Synthesis	RHEA	34755880
MMDBr0025861	Hydrogen Ion	Water	Iterative polyketide synthase afoE	Synthesis	RHEA	34755880
MMDBr0025862	Hydrogen Ion	Water	Non-reducing polyketide synthase pkfA	Synthesis	RHEA	34755880
MMDBr0025863	Hydrogen Ion	Water	Non-reducing polyketide synthase pkfA	Synthesis	RHEA	34755880
MMDBr0025864	Hydrogen Ion	Water	Non-reducing polyketide synthase pkhA	Synthesis	RHEA	34755880
MMDBr0025865	Hydrogen Ion	Water	Non-reducing polyketide synthase pkhA	Synthesis	RHEA	34755880
MMDBr0025866	Hydrogen Ion	Water	Non-reducing polyketide synthase pkiA	Synthesis	RHEA	34755880
MMDBr0025867	Hydrogen Ion	Water	Non-reducing polyketide synthase pkiA	Synthesis	RHEA	34755880
MMDBr0025868	Hydrogen Ion	Water	Hybrid PKS-NRPS synthetase iccA	Synthesis	RHEA	34755880
MMDBr0025869	Hydrogen Ion	Water	Hybrid PKS-NRPS synthetase iccA	Synthesis	RHEA	34755880
MMDBr0025896	Water	Hydrogen Ion	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0025897	Water	Hydrogen Ion	Acyl-CoA thioesterase 2	Hydrolysis	RHEA	34755880
MMDBr0025898	Hydrogen Ion	Water	6-hydroxymellein synthase cdmE	Synthesis	RHEA	34755880
MMDBr0025899	Hydrogen Ion	Water	6-hydroxymellein synthase cdmE	Synthesis	RHEA	34755880
MMDBr0025906	L-Threonine	CoA	Serine/threonine-protein acetyltransferase YopJ	N-Acetylation	RHEA	34755880
MMDBr0025907	L-Threonine	CoA	Serine/threonine-protein acetyltransferase YopJ	N-Acetylation	RHEA	34755880
MMDBr0025920	Oxygen	Water	Methylcarbamoylase mom		RHEA	34755880
MMDBr0025976	Hydrogen Ion	Carbon dioxide	3-oxopimeloyl-[acyl-carrier-protein] synthase	Synthesis	RHEA	34755880
MMDBr0026115	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026116	D-Alanine	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026117	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026118	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026119	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026120	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026121	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026122	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026123	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0026124	Acetyl-CoA	Hydrogen Ion	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0039024	Acetyl-CoA	CoA	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0039025	Acetyl-CoA	CoA	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0039026	Acetyl-CoA	CoA	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0039027	Acetyl-CoA	CoA	D-amino-acid N-acetyltransferase HPA3	Acetylation	RHEA	34755880
MMDBr0039044	Adenosine triphosphate	CoA	L-arginine-specific L-amino acid ligase	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039046	Capric acid	Decanoyl-CoA (N-C10:0CoA)	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039047	CoA	Undecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039048	CoA	(2E)-Octenoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039049	(R)-3-Hydroxyhexanoic acid	(3R)-hydroxyhexanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039050	CoA	trans-2-Hexenoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039051	(R)-3-Hydroxydecanoic acid	(S)-Hydroxydecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039052	(2E)-undec-2-enoic acid	(2E)-Undecenoyl Coenzyme A	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039053	CoA	Nonanoyl Coenzyme A	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039054	CoA	Octanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039055	(3E,5Z)-dodecadienoic acid	(3E,5Z)-dodecadienoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039056	(3Z,5E)-dodecadienoic acid	(3Z,5E)-dodecadienoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039057	Caproic acid	Hexanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039058	3-Hydroxydodecanoic acid	(S)-3-Hydroxydodecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039059	(R)-3-Hydroxydodecanoic acid	(3R)-3-hydroxydodecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039060	3-Hydroxyoctanoic acid	3-Hydroxyoctanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039061	CoA	Lauroyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039062	CoA	Heptanoyl Coenzyme A	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039063	(E)-2-decenoicacid	(2E)-Decenoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039064	11-methyldodecanoic acid	Isotridecanoyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Bacteria	Proteobacteria	539	Human ; Human sputum; Human subgingival plaque; Human feces; Pig ; Sheep ; Chicken ; Cattle ; Rat ; Turkey ; Lion ; River trout ; Dog ; American dog tick ; Human saliva; Human feces; pleural fluid plaque; bal; Human stool; Human supragingival plaque
Eukaryota/Fungi	Ascomycota	132	Human feces; Human saliva; Human supragingival plaque
Eukaryota/Fungi	Basidiomycota	18	Human feces
Bacteria	Firmicutes	197	Human ; Human feces; Cattle ; Catfish ; Human subgingival plaque; Human saliva; Human mucosa; Goat feces; Sheep feces; Human supragingival plaque
Archaea/Archaea	Euryarchaeota	43
Viruses/Bamfordvirae	Nucleocytoviricota	1
Bacteria/NULL	Actinobacteria	2	Human ; Human feces; Cattle
Bacteria	Actinobacteria	126	Human ; Human feces; Cattle
Archaea	Crenarchaeota	1
Archaea/Archaea	Crenarchaeota	21
Bacteria	Deinococcus-thermus	6
Bacteria/NULL	Proteobacteria	7	Human ; Human sputum; Human subgingival plaque; Human feces; Pig ; Sheep ; Chicken ; Cattle ; Rat ; Turkey ; Lion ; River trout ; Dog ; American dog tick ; Human saliva; Human feces; pleural fluid plaque; bal; Human stool; Human supragingival plaque
Bacteria	Cyanobacteria	36	Human
Bacteria	Thermotogae	10
Bacteria/NULL	Firmicutes	2	Human ; Human feces; Cattle ; Catfish ; Human subgingival plaque; Human saliva; Human mucosa; Goat feces; Sheep feces; Human supragingival plaque
Bacteria	Fusobacteria	4	Human ; Human feces
Bacteria	Bacteroidetes	14	Human ; Human feces
Archaea/Archaea	Candidatus thermoplasmatota	1
Archaea/Archaea	nah	6
Bacteria	Chloroflexi	9
Bacteria	Chlorobi	11
Bacteria	Deferribacteres	1
Bacteria	Spirochaetes	13	Human
Archaea	Euryarchaeota	3
Bacteria	Planctomycetes	2
Bacteria	Tenericutes	4	Human ; Goat
Bacteria	Aquificae	8
Bacteria	Acidobacteria	3
Bacteria	nah	5
Bacteria	Nitrospirae	1
Bacteria	Fibrobacteres	1
Eukaryota/Fungi	Mucoromycota	1
Bacteria/NULL	nah	1
Eukaryota/Fungi	Chytridiomycota	1
Bacteria	Verrucomicrobia	3	Human ; Human feces
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria	Gemmatimonadetes	1
Bacteria	Dictyoglomi	2
Bacteria	Elusimicrobia	1
Archaea/Archaea	Thaumarchaeota	2
Archaea/Archaea	Korarchaeota	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Adipose tissue	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001423

DrugBank ID

DB01992

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Coenzyme_A

METLIN ID

Not Available

PubChem Compound

87642

PDB ID

Not Available

ChEBI ID

15346

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Osmundsen H, Bremer J, Pedersen JI: Metabolic aspects of peroxisomal beta-oxidation. Biochim Biophys Acta. 1991 Sep 11;1085(2):141-58. doi: 10.1016/0005-2760(91)90089-z. [PubMed:1892883 ]
Reihner E, Angelin B, Rudling M, Ewerth S, Bjorkhem I, Einarsson K: Regulation of hepatic cholesterol metabolism in humans: stimulatory effects of cholestyramine on HMG-CoA reductase activity and low density lipoprotein receptor expression in gallstone patients. J Lipid Res. 1990 Dec;31(12):2219-26. [PubMed:2090716 ]
Kretschmer RE, Bachmann C: Methylcitric acid determination in amniotic fluid by electron-impact mass fragmentography. J Clin Chem Clin Biochem. 1988 May;26(5):345-8. doi: 10.1515/cclm.1988.26.5.345. [PubMed:3404093 ]
Bergstrom T, Greter J, Levin AH, Steen G, Tryding N, Wass U: Propionyl-CoA carboxylase deficiency: case report, effect of low-protein diet and identification of 3-oxo-2-methylvaleric acid 3-hydroxy-2-methylvaleric acid, and maleic acid in urine. Scand J Clin Lab Invest. 1981 Apr;41(2):117-26. doi: 10.3109/00365518109092023. [PubMed:7313494 ]
Lehnert W, Junker A: [2-Methyl-3-oxovaleric acid: a characteristic metabolite in propionic acidemia]. Clin Chim Acta. 1980 May 21;104(1):47-51. doi: 10.1016/0009-8981(80)90133-3. [PubMed:7389125 ]
Salen G, Batta AK, Tint GS, Shefer S: Comparative effects of lovastatin and chenodeoxycholic acid on plasma cholestanol levels and abnormal bile acid metabolism in cerebrotendinous xanthomatosis. Metabolism. 1994 Aug;43(8):1018-22. doi: 10.1016/0026-0495(94)90183-x. [PubMed:8052141 ]
Wendel U, Zass R, Leupold D: Contribution of odd-numbered fatty acid oxidation to propionate production in neonates with methylmalonic and propionic acidaemias. Eur J Pediatr. 1993 Dec;152(12):1021-3. doi: 10.1007/BF01957229. [PubMed:8131803 ]
Roe CR, Sweetman L, Roe DS, David F, Brunengraber H: Treatment of cardiomyopathy and rhabdomyolysis in long-chain fat oxidation disorders using an anaplerotic odd-chain triglyceride. J Clin Invest. 2002 Jul;110(2):259-69. doi: 10.1172/JCI15311. [PubMed:12122118 ]
Yano S, Li L, Le TP, Moseley K, Guedalia A, Lee J, Gonzalez I, Boles RG: Infantile mitochondrial DNA depletion syndrome associated with methylmalonic aciduria and 3-methylcrotonyl-CoA and propionyl-CoA carboxylase deficiencies in two unrelated patients: a new phenotype of mtDNA depletion syndrome. J Inherit Metab Dis. 2003;26(5):481-8. doi: 10.1023/a:1025125427868. [PubMed:14518828 ]

Showing metabocard for CoA (MMDBc0054400)

MOL for #<Metabolite:0x00007f5a9d7b3f28>

3D MOL for #<Metabolite:0x00007f5a9d7b3f28>

3D SDF for #<Metabolite:0x00007f5a9d7b3f28>

3D-SDF for #<Metabolite:0x00007f5a9d7b3f28>

PDB for #<Metabolite:0x00007f5a9d7b3f28>

3D PDB for #<Metabolite:0x00007f5a9d7b3f28>

SMILES for #<Metabolite:0x00007f5a9d7b3f28>

INCHI for #<Metabolite:0x00007f5a9d7b3f28>

Structure for #<Metabolite:0x00007f5a9d7b3f28>

3D Structure for #<Metabolite:0x00007f5a9d7b3f28>