MiMeDB: Showing metabocard for FAD (MMDBc0000567)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:40:42 UTC

Update Date

2022-08-31 06:09:46 UTC

Metabolite ID

MMDBc0000567

Metabolite Identification

Common Name

FAD

Description

Flavin adenine dinucleotide (FAD) is a redox-active coenzyme associated with various proteins, which is involved with several enzymatic reactions in metabolism. FAD, also known as adeflavin or flamitajin b, belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. FAD is a drug which is used to treat eye diseases caused by vitamin b2 deficiency, such as keratitis and blepharitis. FAD exists in all living species, ranging from bacteria to humans. In humans, FAD is involved in the metabolic disorder called the medium chain acyl-coa dehydrogenase deficiency (mcad) pathway. Outside of the human body, FAD has been detected, but not quantified in several different foods, such as other bread, passion fruits, asparagus, kelps, and green bell peppers. It is a flavoprotein in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group.

Structure

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


  Mrv1652309042000202D          

 53 58  0  0  0  0            999 V2000
10004.5670 9999.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.8593 9999.4773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.8593 9998.6520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.1454 9999.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1454 9998.2403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.5732 9998.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4315 9998.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1454 9997.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7156 9998.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.996910003.2019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10007.424710000.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.705310000.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0037 9998.6520    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10001.705310002.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.2940 9998.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4143 9999.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5890 9999.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5819 9998.6398    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8734 9998.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9927 9999.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1685 9999.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1587 9998.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6631 9996.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8732 9996.7680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.135810002.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.421410001.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.421410001.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.135810000.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.565410002.3775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.850910001.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.850910001.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.565410000.7275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10005.995810002.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.281310001.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.281310001.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.995810000.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10006.710310001.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.710310001.9649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7739 9998.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.3614 9997.4404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.1864 9997.4404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.4413 9998.2250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.2804 9998.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.0255 9997.9541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5776 9997.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3845 9997.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6394 9998.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.0873 9998.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7283 9999.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3931 9998.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3070 9999.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5000 9999.6245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1075 9998.2199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 12  1  0  0  0  0
 26 14  1  0  0  0  0
 30 31  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
  1 32  1  0  0  0  0
 28 31  1  0  0  0  0
 30 25  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 37 38  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 33 10  2  0  0  0  0
 37 11  2  0  0  0  0
 32 35  1  0  0  0  0
 29 34  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 39 42  1  0  0  0  0
 42 22  1  6  0  0  0
 41 23  1  1  0  0  0
 40 24  1  1  0  0  0
 47 48  2  0  0  0  0
 48 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 43 49  1  0  0  0  0
 51 52  2  0  0  0  0
 48 52  1  0  0  0  0
 50 51  1  0  0  0  0
 47 50  1  0  0  0  0
 53 50  1  6  0  0  0
 53 40  1  0  0  0  0
 39 53  1  0  0  0  0
M  END

HMDB0001248
     RDKit          3D
FAD
 86 91  0  0  0  0  0  0  0  0999 V2000
   -8.2979    3.1449   -1.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7149    1.9588   -1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5662    1.9195    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0293    0.8408    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9232    0.8823    2.2031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4077   -0.1615    2.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2779   -0.2109    4.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6354    0.7595    4.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7609   -1.3217    4.8296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3600   -2.3990    4.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -3.4381    4.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740   -2.3826    2.7657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9760   -1.3181    2.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1008   -1.3170    0.7694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6325   -2.4577    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2226   -2.2419   -0.4025 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7861   -3.4417   -1.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923   -1.9382    0.6083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4627   -0.7258    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145   -1.7740   -0.0293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9353   -1.5036    1.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -0.5692   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4684   -0.3970   -1.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    0.9133   -2.4347 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.7186    1.4975   -2.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    0.4278   -3.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582    2.1331   -1.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    1.7302   -0.4505 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5880    1.1849    0.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    3.1728    0.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    0.6564   -0.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709    1.2852   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549    0.2733   -1.0654 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2794    0.8845   -1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2425   -0.0036   -0.7897 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3339    0.7379   -0.1759 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    2.0518    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6410    2.3146    0.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2984    1.1530    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5145    0.7645    1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3752    1.7674    1.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980   -0.5237    1.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0831   -1.4604    0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8971   -1.0976    0.3064 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4805    0.1756    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -0.8947    0.2273 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0176   -2.2148   -0.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546   -0.7154    0.0451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5108   -1.9195   -0.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6207   -0.2637    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548   -0.2586   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2919    0.8308   -1.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4642    0.8992   -3.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2106    3.0668   -2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8477    4.0647   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3833    3.1458   -1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8983    2.8045    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6640   -1.3581    5.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -2.7929   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6557   -3.3513    0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -1.4897   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -3.4397   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -2.7557    1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -0.0559    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -2.7003   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -0.6588    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198   -0.7040   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521    0.3348   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451    0.1739   -3.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    3.0030    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986    1.8197    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754    2.0232   -1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8666   -0.3149   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -0.5483   -1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    2.7716   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4759    2.6573    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8825    1.6196    2.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4330   -2.4932    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591   -0.6630    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594   -2.7548   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545   -0.2776    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -2.4435    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4432   -1.1089   -1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9085    1.7549   -3.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1860   -0.0741   -3.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5620    1.0765   -3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 35 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 14 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 52  2  1  0
 50  4  2  0
 13  6  1  0
 48 33  1  0
 45 36  1  0
 45 39  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  3 57  1  0
  9 58  1  0
 15 59  1  0
 15 60  1  0
 16 61  1  6
 17 62  1  0
 18 63  1  1
 19 64  1  0
 20 65  1  6
 21 66  1  0
 22 67  1  0
 22 68  1  0
 26 69  1  0
 30 70  1  0
 32 71  1  0
 32 72  1  0
 33 73  1  6
 35 74  1  6
 37 75  1  0
 41 76  1  0
 41 77  1  0
 43 78  1  0
 46 79  1  1
 47 80  1  0
 48 81  1  1
 49 82  1  0
 51 83  1  0
 53 84  1  0
 53 85  1  0
 53 86  1  0
M  END


  Mrv1652309042000202D          

 53 58  0  0  0  0            999 V2000
10004.5670 9999.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.8593 9999.4773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.8593 9998.6520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.1454 9999.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1454 9998.2403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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10001.705310002.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.2940 9998.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 9998.1587 9998.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6631 9996.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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10003.135810002.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.421410001.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.421410001.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.135810000.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.565410002.3775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.850910001.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.850910001.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.565410000.7275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10005.995810002.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.281310001.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.281310001.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.995810000.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10006.710310001.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.710310001.9649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7739 9998.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.3614 9997.4404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.1864 9997.4404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.4413 9998.2250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.2804 9998.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.0255 9997.9541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5776 9997.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3845 9997.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6394 9998.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.0873 9998.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7283 9999.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3931 9998.6325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3070 9999.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5000 9999.6245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1075 9998.2199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  5  7  1  0  0  0  0
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 15 18  1  0  0  0  0
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 19 22  1  0  0  0  0
 25 26  2  0  0  0  0
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 31 32  1  0  0  0  0
  1 32  1  0  0  0  0
 28 31  1  0  0  0  0
 30 25  1  0  0  0  0
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 34 35  1  0  0  0  0
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 47 48  2  0  0  0  0
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 45 46  2  0  0  0  0
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 50 51  1  0  0  0  0
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 53 50  1  6  0  0  0
 53 40  1  0  0  0  0
 39 53  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000567

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2

> <INCHI_IDENTIFIER>
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

> <INCHI_KEY>
VWWQXMAJTJZDQX-UYBVJOGSSA-N

> <FORMULA>
C27H33N9O15P2

> <MOLECULAR_WEIGHT>
785.5497

> <EXACT_MASS>
785.157134455

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
70.5310152616057

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

> <ALOGPS_LOGP>
-0.78

> <JCHEM_LOGP>
-4.681078144323199

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.1867213383834065

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8536451578834567

> <JCHEM_PKA_STRONGEST_BASIC>
4.005031442352912

> <JCHEM_POLAR_SURFACE_AREA>
356.4199999999999

> <JCHEM_REFRACTIVITY>
177.4308

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.25e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flavine-adenine dinucleotide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001248
     RDKit          3D
FAD
 86 91  0  0  0  0  0  0  0  0999 V2000
   -8.2979    3.1449   -1.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7149    1.9588   -1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5662    1.9195    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0293    0.8408    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9232    0.8823    2.2031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4077   -0.1615    2.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2779   -0.2109    4.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5108   -1.9195   -0.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7548   -0.2586   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4642    0.8992   -3.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6557   -3.3513    0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -1.4897   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -3.4397   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -2.7557    1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5226   -2.7003   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7552    3.0030    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6830    2.7716   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4759    2.6573    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8825    1.6196    2.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 52 53  1  0
 52  2  1  0
 50  4  2  0
 13  6  1  0
 48 33  1  0
 45 36  1  0
 45 39  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  3 57  1  0
  9 58  1  0
 15 59  1  0
 15 60  1  0
 16 61  1  6
 17 62  1  0
 18 63  1  1
 19 64  1  0
 20 65  1  6
 21 66  1  0
 22 67  1  0
 22 68  1  0
 26 69  1  0
 30 70  1  0
 32 71  1  0
 32 72  1  0
 33 73  1  6
 35 74  1  6
 37 75  1  0
 41 76  1  0
 41 77  1  0
 43 78  1  0
 46 79  1  1
 47 80  1  0
 48 81  1  1
 49 82  1  0
 51 83  1  0
 53 84  1  0
 53 85  1  0
 53 86  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8675.1928666.482   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8673.8718665.691   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8673.8718664.150   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8672.5388666.463   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8672.5388663.382   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8675.2038663.382   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8671.2058664.150   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8672.5388661.841   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8669.8698663.382   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8677.8618672.644   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8680.5268668.022   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8669.8508668.022   0.000  0.00  0.00           C+0
HETATM   13  P   UNK     0    8668.5408664.150   0.000  0.00  0.00           P+0
HETATM   14  C   UNK     0    8669.8508671.103   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    8667.2158663.359   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8669.3078665.485   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8667.7668665.485   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0    8665.8868664.128   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0    8664.5648663.336   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8666.6538665.462   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0    8665.1158665.462   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0    8663.2308664.104   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0    8662.3048660.649   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0    8658.9638660.634   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0    8672.5208671.105   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8671.1878670.335   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8671.1878668.795   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8672.5208668.025   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0    8675.1898671.105   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0    8673.8558670.335   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8673.8558668.794   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0    8675.1898668.025   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0    8677.8598671.104   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8676.5258670.334   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8676.5258668.794   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0    8677.8598668.024   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0    8679.1938668.794   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0    8679.1938670.334   0.000  0.00  0.00           N+0
HETATM   39  O   UNK     0    8660.6458664.259   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0    8659.8758661.889   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0    8661.4158661.889   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0    8661.8908663.353   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0    8654.1238664.312   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0    8653.6488662.848   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0    8654.6788661.703   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0    8656.1848662.023   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0    8656.6608663.488   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0    8655.6308664.632   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0    8653.0938665.457   0.000  0.00  0.00           N+0
HETATM   50  N   UNK     0    8658.0678664.114   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0    8657.9068665.646   0.000  0.00  0.00           C+0
HETATM   52  N   UNK     0    8656.4008665.966   0.000  0.00  0.00           N+0
HETATM   53  C   UNK     0    8659.4018663.344   0.000  0.00  0.00           C+0
CONECT    1    2   32                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2    5    6                                                  
CONECT    4    2                                                            
CONECT    5    3    7    8                                                  
CONECT    6    3                                                            
CONECT    7    5    9                                                       
CONECT    8    5                                                            
CONECT    9    7   13                                                       
CONECT   10   33                                                            
CONECT   11   37                                                            
CONECT   12   27                                                            
CONECT   13    9   15   16   17                                             
CONECT   14   26                                                            
CONECT   15   13   18                                                       
CONECT   16   13                                                            
CONECT   17   13                                                            
CONECT   18   15   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   42                                                       
CONECT   23   41                                                            
CONECT   24   40                                                            
CONECT   25   26   30                                                       
CONECT   26   25   27   14                                                  
CONECT   27   26   28   12                                                  
CONECT   28   27   31                                                       
CONECT   29   30   34                                                       
CONECT   30   31   29   25                                                  
CONECT   31   30   32   28                                                  
CONECT   32   31    1   35                                                  
CONECT   33   34   38   10                                                  
CONECT   34   33   35   29                                                  
CONECT   35   34   36   32                                                  
CONECT   36   35   37                                                       
CONECT   37   38   36   11                                                  
CONECT   38   33   37                                                       
CONECT   39   42   53                                                       
CONECT   40   41   24   53                                                  
CONECT   41   40   42   23                                                  
CONECT   42   41   39   22                                                  
CONECT   43   48   44   49                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   48   46   50                                                  
CONECT   48   47   43   52                                                  
CONECT   49   43                                                            
CONECT   50   51   47   53                                                  
CONECT   51   52   50                                                       
CONECT   52   51   48                                                       
CONECT   53   50   40   39                                                  
MASTER        0    0    0    0    0    0    0    0   53    0  116    0
END

COMPND    HMDB0001248
HETATM    1  C1  UNL     1      -8.298   3.145  -1.873  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.715   1.959  -1.190  1.00  0.00           C  
HETATM    3  C3  UNL     1      -7.566   1.920   0.176  1.00  0.00           C  
HETATM    4  C4  UNL     1      -7.029   0.841   0.866  1.00  0.00           C  
HETATM    5  N1  UNL     1      -6.923   0.882   2.203  1.00  0.00           N  
HETATM    6  C5  UNL     1      -6.408  -0.161   2.883  1.00  0.00           C  
HETATM    7  C6  UNL     1      -6.278  -0.211   4.253  1.00  0.00           C  
HETATM    8  O1  UNL     1      -6.635   0.760   4.934  1.00  0.00           O  
HETATM    9  N2  UNL     1      -5.761  -1.322   4.830  1.00  0.00           N  
HETATM   10  C7  UNL     1      -5.360  -2.399   4.122  1.00  0.00           C  
HETATM   11  O2  UNL     1      -4.879  -3.438   4.640  1.00  0.00           O  
HETATM   12  N3  UNL     1      -5.474  -2.383   2.766  1.00  0.00           N  
HETATM   13  C8  UNL     1      -5.976  -1.318   2.121  1.00  0.00           C  
HETATM   14  N4  UNL     1      -6.101  -1.317   0.769  1.00  0.00           N  
HETATM   15  C9  UNL     1      -5.633  -2.458   0.090  1.00  0.00           C  
HETATM   16  C10 UNL     1      -4.223  -2.242  -0.403  1.00  0.00           C  
HETATM   17  O3  UNL     1      -3.786  -3.442  -1.059  1.00  0.00           O  
HETATM   18  C11 UNL     1      -3.192  -1.938   0.608  1.00  0.00           C  
HETATM   19  O4  UNL     1      -3.463  -0.726   1.242  1.00  0.00           O  
HETATM   20  C12 UNL     1      -1.815  -1.774  -0.029  1.00  0.00           C  
HETATM   21  O5  UNL     1      -0.935  -1.504   1.025  1.00  0.00           O  
HETATM   22  C13 UNL     1      -1.771  -0.569  -0.945  1.00  0.00           C  
HETATM   23  O6  UNL     1      -0.468  -0.397  -1.411  1.00  0.00           O  
HETATM   24  P1  UNL     1      -0.316   0.913  -2.435  1.00  0.00           P  
HETATM   25  O7  UNL     1      -1.719   1.498  -2.630  1.00  0.00           O  
HETATM   26  O8  UNL     1       0.205   0.428  -3.978  1.00  0.00           O  
HETATM   27  O9  UNL     1       0.658   2.133  -1.842  1.00  0.00           O  
HETATM   28  P2  UNL     1       1.486   1.730  -0.450  1.00  0.00           P  
HETATM   29  O10 UNL     1       0.588   1.185   0.635  1.00  0.00           O  
HETATM   30  O11 UNL     1       2.165   3.173   0.171  1.00  0.00           O  
HETATM   31  O12 UNL     1       2.741   0.656  -0.690  1.00  0.00           O  
HETATM   32  C14 UNL     1       3.971   1.285  -0.855  1.00  0.00           C  
HETATM   33  C15 UNL     1       5.055   0.273  -1.065  1.00  0.00           C  
HETATM   34  O13 UNL     1       6.279   0.885  -1.231  1.00  0.00           O  
HETATM   35  C16 UNL     1       7.243  -0.004  -0.790  1.00  0.00           C  
HETATM   36  N5  UNL     1       8.334   0.738  -0.176  1.00  0.00           N  
HETATM   37  C17 UNL     1       8.451   2.052   0.059  1.00  0.00           C  
HETATM   38  N6  UNL     1       9.641   2.315   0.654  1.00  0.00           N  
HETATM   39  C18 UNL     1      10.298   1.153   0.803  1.00  0.00           C  
HETATM   40  C19 UNL     1      11.514   0.765   1.321  1.00  0.00           C  
HETATM   41  N7  UNL     1      12.375   1.767   1.862  1.00  0.00           N  
HETATM   42  N8  UNL     1      11.898  -0.524   1.324  1.00  0.00           N  
HETATM   43  C20 UNL     1      11.083  -1.460   0.813  1.00  0.00           C  
HETATM   44  N9  UNL     1       9.897  -1.098   0.306  1.00  0.00           N  
HETATM   45  C21 UNL     1       9.480   0.176   0.285  1.00  0.00           C  
HETATM   46  C22 UNL     1       6.634  -0.895   0.227  1.00  0.00           C  
HETATM   47  O14 UNL     1       7.018  -2.215  -0.105  1.00  0.00           O  
HETATM   48  C23 UNL     1       5.155  -0.715   0.045  1.00  0.00           C  
HETATM   49  O15 UNL     1       4.511  -1.920  -0.247  1.00  0.00           O  
HETATM   50  C24 UNL     1      -6.621  -0.264   0.107  1.00  0.00           C  
HETATM   51  C25 UNL     1      -6.755  -0.259  -1.259  1.00  0.00           C  
HETATM   52  C26 UNL     1      -7.292   0.831  -1.903  1.00  0.00           C  
HETATM   53  C27 UNL     1      -7.464   0.899  -3.382  1.00  0.00           C  
HETATM   54  H1  UNL     1      -8.211   3.067  -2.955  1.00  0.00           H  
HETATM   55  H2  UNL     1      -7.848   4.065  -1.448  1.00  0.00           H  
HETATM   56  H3  UNL     1      -9.383   3.146  -1.613  1.00  0.00           H  
HETATM   57  H4  UNL     1      -7.898   2.805   0.735  1.00  0.00           H  
HETATM   58  H5  UNL     1      -5.664  -1.358   5.855  1.00  0.00           H  
HETATM   59  H6  UNL     1      -6.203  -2.793  -0.788  1.00  0.00           H  
HETATM   60  H7  UNL     1      -5.656  -3.351   0.785  1.00  0.00           H  
HETATM   61  H8  UNL     1      -4.197  -1.490  -1.237  1.00  0.00           H  
HETATM   62  H9  UNL     1      -4.063  -3.440  -1.998  1.00  0.00           H  
HETATM   63  H10 UNL     1      -3.040  -2.756   1.354  1.00  0.00           H  
HETATM   64  H11 UNL     1      -3.779  -0.056   0.588  1.00  0.00           H  
HETATM   65  H12 UNL     1      -1.523  -2.700  -0.573  1.00  0.00           H  
HETATM   66  H13 UNL     1      -1.284  -0.659   1.447  1.00  0.00           H  
HETATM   67  H14 UNL     1      -2.420  -0.704  -1.845  1.00  0.00           H  
HETATM   68  H15 UNL     1      -2.052   0.335  -0.407  1.00  0.00           H  
HETATM   69  H16 UNL     1       1.145   0.174  -3.949  1.00  0.00           H  
HETATM   70  H17 UNL     1       2.755   3.003   0.931  1.00  0.00           H  
HETATM   71  H18 UNL     1       4.199   1.820   0.096  1.00  0.00           H  
HETATM   72  H19 UNL     1       3.975   2.023  -1.669  1.00  0.00           H  
HETATM   73  H20 UNL     1       4.867  -0.315  -2.011  1.00  0.00           H  
HETATM   74  H21 UNL     1       7.631  -0.548  -1.686  1.00  0.00           H  
HETATM   75  H22 UNL     1       7.683   2.772  -0.203  1.00  0.00           H  
HETATM   76  H23 UNL     1      12.476   2.657   1.343  1.00  0.00           H  
HETATM   77  H24 UNL     1      12.882   1.620   2.738  1.00  0.00           H  
HETATM   78  H25 UNL     1      11.433  -2.493   0.836  1.00  0.00           H  
HETATM   79  H26 UNL     1       6.959  -0.663   1.271  1.00  0.00           H  
HETATM   80  H27 UNL     1       6.259  -2.755  -0.392  1.00  0.00           H  
HETATM   81  H28 UNL     1       4.755  -0.278   1.005  1.00  0.00           H  
HETATM   82  H29 UNL     1       4.475  -2.444   0.592  1.00  0.00           H  
HETATM   83  H30 UNL     1      -6.443  -1.109  -1.816  1.00  0.00           H  
HETATM   84  H31 UNL     1      -6.908   1.755  -3.829  1.00  0.00           H  
HETATM   85  H32 UNL     1      -7.186  -0.074  -3.804  1.00  0.00           H  
HETATM   86  H33 UNL     1      -8.562   1.076  -3.547  1.00  0.00           H  
CONECT    1    2   54   55   56
CONECT    2    3    3   52
CONECT    3    4   57
CONECT    4    5   50   50
CONECT    5    6    6
CONECT    6    7   13
CONECT    7    8    8    9
CONECT    9   10   58
CONECT   10   11   11   12
CONECT   12   13   13
CONECT   13   14
CONECT   14   15   50
CONECT   15   16   59   60
CONECT   16   17   18   61
CONECT   17   62
CONECT   18   19   20   63
CONECT   19   64
CONECT   20   21   22   65
CONECT   21   66
CONECT   22   23   67   68
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   69
CONECT   27   28
CONECT   28   29   29   30   31
CONECT   30   70
CONECT   31   32
CONECT   32   33   71   72
CONECT   33   34   48   73
CONECT   34   35
CONECT   35   36   46   74
CONECT   36   37   45
CONECT   37   38   38   75
CONECT   38   39
CONECT   39   40   40   45
CONECT   40   41   42
CONECT   41   76   77
CONECT   42   43   43
CONECT   43   44   78
CONECT   44   45   45
CONECT   46   47   48   79
CONECT   47   80
CONECT   48   49   81
CONECT   49   82
CONECT   50   51
CONECT   51   52   52   83
CONECT   52   53
CONECT   53   84   85   86
END

HMDB0001248
     RDKit          3D
FAD
 86 91  0  0  0  0  0  0  0  0999 V2000
   -8.2979    3.1449   -1.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7149    1.9588   -1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5662    1.9195    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0293    0.8408    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9232    0.8823    2.2031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4077   -0.1615    2.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2779   -0.2109    4.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6354    0.7595    4.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7609   -1.3217    4.8296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3600   -2.3990    4.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8788   -3.4381    4.6399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4740   -2.3826    2.7657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9760   -1.3181    2.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1008   -1.3170    0.7694 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6325   -2.4577    0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2226   -2.2419   -0.4025 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7861   -3.4417   -1.0595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923   -1.9382    0.6083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4627   -0.7258    1.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145   -1.7740   -0.0293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9353   -1.5036    1.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -0.5692   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4684   -0.3970   -1.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3160    0.9133   -2.4347 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.7186    1.4975   -2.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    0.4278   -3.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582    2.1331   -1.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    1.7302   -0.4505 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.5880    1.1849    0.6353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    3.1728    0.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    0.6564   -0.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709    1.2852   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549    0.2733   -1.0654 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2794    0.8845   -1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2425   -0.0036   -0.7897 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3339    0.7379   -0.1759 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    2.0518    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6410    2.3146    0.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2984    1.1530    0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5145    0.7645    1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3752    1.7674    1.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980   -0.5237    1.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0831   -1.4604    0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8971   -1.0976    0.3064 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4805    0.1756    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -0.8947    0.2273 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0176   -2.2148   -0.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1546   -0.7154    0.0451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5108   -1.9195   -0.2466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6207   -0.2637    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548   -0.2586   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2919    0.8308   -1.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4642    0.8992   -3.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2106    3.0668   -2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8477    4.0647   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3833    3.1458   -1.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8983    2.8045    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6640   -1.3581    5.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2026   -2.7929   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6557   -3.3513    0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972   -1.4897   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635   -3.4397   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401   -2.7557    1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -0.0559    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -2.7003   -0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -0.6588    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198   -0.7040   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521    0.3348   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451    0.1739   -3.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    3.0030    0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986    1.8197    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754    2.0232   -1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8666   -0.3149   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -0.5483   -1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    2.7716   -0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4759    2.6573    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8825    1.6196    2.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4330   -2.4932    0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591   -0.6630    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594   -2.7548   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7545   -0.2776    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -2.4435    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4432   -1.1089   -1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9085    1.7549   -3.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1860   -0.0741   -3.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5620    1.0765   -3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 35 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 14 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 52  2  1  0
 50  4  2  0
 13  6  1  0
 48 33  1  0
 45 36  1  0
 45 39  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  3 57  1  0
  9 58  1  0
 15 59  1  0
 15 60  1  0
 16 61  1  6
 17 62  1  0
 18 63  1  1
 19 64  1  0
 20 65  1  6
 21 66  1  0
 22 67  1  0
 22 68  1  0
 26 69  1  0
 30 70  1  0
 32 71  1  0
 32 72  1  0
 33 73  1  6
 35 74  1  6
 37 75  1  0
 41 76  1  0
 41 77  1  0
 43 78  1  0
 46 79  1  1
 47 80  1  0
 48 81  1  1
 49 82  1  0
 51 83  1  0
 53 84  1  0
 53 85  1  0
 53 86  1  0
M  END

Synonyms

Value	Source
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine	ChEBI
Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate]	ChEBI
Flavin adenine dinucleotide	ChEBI
FLAVIN-adenine dinucleotide	ChEBI
Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine	ChEBI
Riboflavin 5'-adenosine diphosphate	ChEBI
Adeflavin	Kegg
Adenosine 5'-(trihydrogen pyrophosphoric acid), 5'-5'-ester with riboflavine	Generator
Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphoric acid]	Generator
Riboflavin 5'-(trihydrogen diphosphoric acid), 5'-5'-ester with adenosine	Generator
Riboflavin 5'-adenosine diphosphoric acid	Generator
1H-Purin-6-amine flavin dinucleotide	HMDB
1H-Purin-6-amine flavine dinucleotide	HMDB
Adenine-flavin dinucleotide	HMDB
Adenine-flavine dinucleotide	HMDB
Adenine-riboflavin dinuceotide	HMDB
Adenine-riboflavin dinucleotide	HMDB
Adenine-riboflavine dinucleotide	HMDB
Flamitajin b	HMDB
Flanin F	HMDB
Flavin adenine dinucleotide oxidized	HMDB
Flavine adenosine diphosphate	HMDB
Flavine-adenine dinucleotide	HMDB
Flavitan	HMDB
Flaziren	HMDB
Isoalloxazine-adenine dinucleotide	HMDB
Riboflavin-adenine dinucleotide	HMDB
Riboflavine-adenine dinucleotide	HMDB
Dinucleotide, flavin-adenine	HMDB

Molecular Formula

C₂₇H₃₃N₉O₁₅P₂

Average Mass

785.5497

Monoisotopic Mass

785.157134455

IUPAC Name

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

Traditional Name

flavine-adenine dinucleotide

CAS Registry Number

Not Available

SMILES

CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2

InChI Identifier

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChI Key

VWWQXMAJTJZDQX-UYBVJOGSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Flavin nucleotides

Sub Class

Not Available

Direct Parent

Flavin nucleotides

Alternative Parents

Substituents

Flavin nucleotide
(3'->5')-dinucleotide
(3'->5')-dinucleotide or analogue
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Flavin
Isoalloxazine
Pentose-5-phosphate
Pentose phosphate
Glycosyl compound
N-glycosyl compound
Diazanaphthalene
Pentose monosaccharide
Pteridine
6-aminopurine
Quinoxaline
Organic pyrophosphate
Monosaccharide phosphate
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Pyrimidone
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Imidolactam
Benzenoid
Alkyl phosphate
Phosphoric acid ester
Pyrimidine
Pyrazine
Tetrahydrofuran
Azole
Vinylogous amide
Heteroaromatic compound
Imidazole
Secondary alcohol
Lactam
Polyol
Oxacycle
Azacycle
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Organopnictogen compound
Organonitrogen compound
Hydrocarbon derivative
Primary amine
Alcohol
Amine
Organic nitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

flavin adenine dinucleotide (CHEBI:16238 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.25 g/L	ALOGPS
logP	-0.78	ALOGPS
logP	-4.7	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	1.85	ChemAxon
pKa (Strongest Basic)	4.01	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	356.42 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	177.43 m³·mol⁻¹	ChemAxon
Polarizability	70.53 Å³	ChemAxon
Number of Rings	6	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	splash10-0170-1032960400-cdd3286ebb1dea7c4f54	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)	splash10-000i-0001200900-b0740b3d33d50996ccde	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-000m-0105900000-3abff26d5bb35f8527b8	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-000i-0931700000-73f360589a13230eea7a	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000j-0908600300-b1eccda8ebae8b9e4cc1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-0900000000-bdb826f9c3cbc09eff9b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-00di-0019800000-00ad56b6b6a3bb4516e6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000b-0009400000-667064ca470a5c341974	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000j-0509700500-8766cb874f927ed5a795	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-0900000000-3125e04c09a14c62f22a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-00di-0019700000-78c46ea4b4f562757e56	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000b-0009400000-94b845d2c8d082b9484c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0000100900-6bac7b7f631dfc074a0c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0920000000-49c9d4fb9b57a59f45a5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-000i-0003900000-572f0b1bd59f71ab3c5f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-000i-0003900000-d2ede6a2e7183f1c32a3	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0000100900-78554afbc26abe26af35	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0930000000-274da0a01c651b791733	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-000i-0003900000-55939cda9e14fc582757	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-000i-0003900000-db784762434fac3d351f	2012-08-31	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0932110400-f05626487523221c34de	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0930000000-86c3d6490bc3a27e053a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052r-0980000000-58a46c839e0e520474d7	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-8482400900-2c4839849821d2807c57	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001l-5920100000-b38889aa3d09576e2f3e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a7l-3900000000-f7144f6355fab252a516	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Mitochondria
Peroxisome

Biospecimen Locations

Blood
Erythrocyte
Feces
Liver
Placenta
Skeletal Muscle

Tissue Locations

Erythrocyte
Liver
Placenta
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191728	Dihydrolipoyl dehydrogenase, mitochondrial	Unknown	P09622	Homo sapiens
MMDBp0191775	Long-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P28330	Homo sapiens
MMDBp0191776	Short-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P16219	Homo sapiens
MMDBp0191777	Medium-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P11310	Homo sapiens
MMDBp0191788	NADH-ubiquinone oxidoreductase chain 1	Unknown	P03886	Homo sapiens
MMDBp0191789	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1	Enzyme	O75438	Homo sapiens
MMDBp0191790	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	Unknown	P22413	Homo sapiens
MMDBp0191791	NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial	Unknown	O75306	Homo sapiens
MMDBp0191792	Succinate dehydrogenase cytochrome b560 subunit, mitochondrial	Unknown	Q99643	Homo sapiens
MMDBp0191793	Peroxisomal sarcosine oxidase	Unknown	Q9P0Z9	Homo sapiens
MMDBp0191794	Peroxisomal N(1)-acetyl-spermine/spermidine oxidase	Unknown	Q6QHF9	Homo sapiens
MMDBp0191795	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12	Enzyme	Q9UI09	Homo sapiens
MMDBp0191796	NADH-cytochrome b5 reductase 3	Unknown	P00387	Homo sapiens
MMDBp0191797	Aldehyde oxidase	Unknown	Q06278	Homo sapiens
MMDBp0191798	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1	Enzyme	O15239	Homo sapiens
MMDBp0191799	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2	Enzyme	Q9NRX3	Homo sapiens
MMDBp0191800	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3	Enzyme	O95167	Homo sapiens
MMDBp0191801	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8	Enzyme	P51970	Homo sapiens
MMDBp0191802	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4	Enzyme	O00483	Homo sapiens
MMDBp0191803	NADH-ubiquinone oxidoreductase chain 4L	Unknown	P03901	Homo sapiens
MMDBp0191804	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	Enzyme	Q86Y39	Homo sapiens
MMDBp0191805	Thioredoxin reductase 1, cytoplasmic	Unknown	Q16881	Homo sapiens
MMDBp0191806	Lathosterol oxidase	Unknown	O75845	Homo sapiens
MMDBp0191808	NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial	Unknown	O43181	Homo sapiens
MMDBp0191809	Ribosyldihydronicotinamide dehydrogenase [quinone]	Unknown	P16083	Homo sapiens
MMDBp0191811	NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial	Unknown	O75489	Homo sapiens
MMDBp0191812	NADH dehydrogenase [ubiquinone] iron-sulfur protein 5	Unknown	O43920	Homo sapiens
MMDBp0191813	NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial	Unknown	P19404	Homo sapiens
MMDBp0191814	Dimethylaniline monooxygenase [N-oxide-forming] 5	Unknown	P49326	Homo sapiens
MMDBp0191815	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial	Unknown	O95299	Homo sapiens
MMDBp0191816	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6	Enzyme	P56556	Homo sapiens
MMDBp0191817	Peroxisomal acyl-coenzyme A oxidase 1	Unknown	Q15067	Homo sapiens
MMDBp0191818	D-aspartate oxidase	Unknown	Q99489	Homo sapiens
MMDBp0191820	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4	Enzyme	O95168	Homo sapiens
MMDBp0191821	Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial	Unknown	P31040	Homo sapiens
MMDBp0191822	Heme oxygenase 2	Unknown	P30519	Homo sapiens
MMDBp0191823	NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial	Unknown	O00217	Homo sapiens
MMDBp0191824	Squalene monooxygenase	Unknown	Q14534	Homo sapiens
MMDBp0191825	NADH-ubiquinone oxidoreductase chain 2	Unknown	P03891	Homo sapiens
MMDBp0191826	Dimethylaniline monooxygenase [N-oxide-forming] 2	Unknown	Q99518	Homo sapiens
MMDBp0191828	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7	Enzyme	O95182	Homo sapiens
MMDBp0191829	Thioredoxin reductase 2, mitochondrial	Unknown	Q9NNW7	Homo sapiens
MMDBp0191830	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2	Enzyme	O43678	Homo sapiens
MMDBp0191831	Methionine synthase	Unknown	Q99707	Homo sapiens
MMDBp0191832	Amine oxidase [flavin-containing] B	Unknown	P27338	Homo sapiens
MMDBp0191833	NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial	Unknown	P28331	Homo sapiens
MMDBp0191834	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial	Enzyme	O43674	Homo sapiens
MMDBp0191835	Peroxisomal acyl-coenzyme A oxidase 2	Unknown	Q99424	Homo sapiens
MMDBp0191836	Dimethylaniline monooxygenase [N-oxide-forming] 4	Unknown	P31512	Homo sapiens
MMDBp0191837	Isovaleryl-CoA dehydrogenase, mitochondrial	Unknown	P26440	Homo sapiens
MMDBp0191840	Amine oxidase [flavin-containing] A	Unknown	P21397	Homo sapiens
MMDBp0191841	NADH dehydrogenase [ubiquinone] 1 subunit C2	Enzyme	O95298	Homo sapiens
MMDBp0191842	Dimethylaniline monooxygenase [N-oxide-forming] 3	Unknown	P31513	Homo sapiens
MMDBp0191843	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3	Enzyme	O43676	Homo sapiens
MMDBp0191844	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7	Enzyme	P17568	Homo sapiens
MMDBp0191845	Acyl carrier protein, mitochondrial	Enzyme	O14561	Homo sapiens
MMDBp0191846	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5	Enzyme	Q16718	Homo sapiens
MMDBp0191847	Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial	Unknown	Q16134	Homo sapiens
MMDBp0191848	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial	Unknown	Q16795	Homo sapiens
MMDBp0191849	NADH-ubiquinone oxidoreductase chain 4	Unknown	P03905	Homo sapiens
MMDBp0191850	Succinate dehydrogenase [ubiquinone] cytochrome b small subunit, mitochondrial	Unknown	O14521	Homo sapiens
MMDBp0191851	NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial	Unknown	O75251	Homo sapiens
MMDBp0191852	Xanthine dehydrogenase/oxidase	Unknown	P47989	Homo sapiens
MMDBp0191854	NADPH--cytochrome P450 reductase	Unknown	P16435	Homo sapiens
MMDBp0191855	Dihydroorotate dehydrogenase (quinone), mitochondrial	Unknown	Q02127	Homo sapiens
MMDBp0191856	Dimethylaniline monooxygenase [N-oxide-forming] 1	Unknown	Q01740	Homo sapiens
MMDBp0191857	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Unknown	P49821	Homo sapiens
MMDBp0191858	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9	Enzyme	Q9Y6M9	Homo sapiens
MMDBp0191859	Methylenetetrahydrofolate reductase	Unknown	P42898	Homo sapiens
MMDBp0191860	NADH-ubiquinone oxidoreductase chain 6	Unknown	P03923	Homo sapiens
MMDBp0191861	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	Enzyme	Q9P0J0	Homo sapiens
MMDBp0191862	NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial	Unknown	O75380	Homo sapiens
MMDBp0191863	Peroxisomal acyl-coenzyme A oxidase 3	Unknown	O15254	Homo sapiens
MMDBp0191864	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	Unknown	P21912	Homo sapiens
MMDBp0191865	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	Unknown	O14638	Homo sapiens
MMDBp0191867	Glutathione reductase, mitochondrial	Unknown	P00390	Homo sapiens
MMDBp0191868	Glycerol-3-phosphate dehydrogenase, mitochondrial	Unknown	P43304	Homo sapiens
MMDBp0191869	Heme oxygenase 1	Unknown	P09601	Homo sapiens
MMDBp0191870	Retinal dehydrogenase 1	Unknown	P00352	Homo sapiens
MMDBp0191872	Choline dehydrogenase, mitochondrial	Unknown	Q8NE62	Homo sapiens
MMDBp0191873	Glutaryl-CoA dehydrogenase, mitochondrial	Unknown	Q92947	Homo sapiens
MMDBp0191874	Dimethylglycine dehydrogenase, mitochondrial	Unknown	Q9UI17	Homo sapiens
MMDBp0191875	NADPH:adrenodoxin oxidoreductase, mitochondrial	Unknown	P22570	Homo sapiens
MMDBp0191876	Retinal dehydrogenase 2	Unknown	O94788	Homo sapiens
MMDBp0191877	D-amino-acid oxidase	Unknown	P14920	Homo sapiens
MMDBp0192087	Methionine synthase reductase	Unknown	Q9UBK8	Homo sapiens
MMDBp0192153	tRNA-dihydrouridine synthase 2-like	Unknown	Q9NX74	Homo sapiens
MMDBp0192340	Flavin reductase (NADPH)	Unknown	P30043	Homo sapiens
MMDBp0192365	Dihydropyrimidine dehydrogenase [NADP(+)]	Unknown	Q12882	Homo sapiens
MMDBp0192413	Sarcosine dehydrogenase, mitochondrial	Unknown	Q9UL12	Homo sapiens
MMDBp0192544	Nitric oxide synthase, inducible	Unknown	P35228	Homo sapiens
MMDBp0192546	Nitric oxide synthase, brain	Unknown	P29475	Homo sapiens
MMDBp0192547	Nitric oxide synthase, endothelial	Unknown	P29474	Homo sapiens
MMDBp0192632	Protoporphyrinogen oxidase	Unknown	P50336	Homo sapiens
MMDBp0192712	NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial	Enzyme	Q9NX14	Homo sapiens
MMDBp0193097	Alkyldihydroxyacetonephosphate synthase, peroxisomal	Unknown	O00116	Homo sapiens
MMDBp0193161	Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P45954	Homo sapiens
MMDBp0193201	NAD(P)H dehydrogenase [quinone] 1	Unknown	P15559	Homo sapiens
MMDBp0193244	Cytochrome b-245 heavy chain	Unknown	P04839	Homo sapiens
MMDBp0193274	Electron transfer flavoprotein subunit alpha, mitochondrial	Unknown	P13804	Homo sapiens
MMDBp0193320	Putative dimethylaniline monooxygenase [N-oxide-forming] 6	Unknown	O60774	Homo sapiens
MMDBp0193337	Delta(24)-sterol reductase	Unknown	Q15392	Homo sapiens
MMDBp0193367	Amyloid beta A4 protein	Unknown	P05067	Homo sapiens
MMDBp0193385	Electron transfer flavoprotein subunit beta	Unknown	P38117	Homo sapiens
MMDBp0193396	Proline dehydrogenase 1, mitochondrial	Unknown	O43272	Homo sapiens
MMDBp0191674	D-2-hydroxyglutarate dehydrogenase, mitochondrial	Enzyme	Q8N465	Saccharomyces cerevisiae
MMDBp0191676	L-2-hydroxyglutarate dehydrogenase, mitochondrial	Enzyme	Q9H9P8	Saccharomyces cerevisiae
MMDBp0193578	Bifunctional ATP-dependent dihydroxyacetone kinase/FAD-AMP lyase (cyclizing)	Enzyme	Q3LXA3	Homo sapiens
MMDBp0193603	Kynurenine 3-monooxygenase	Unknown	O15229	Homo sapiens
MMDBp0193618	Spermine oxidase	Unknown	Q9NWM0	Homo sapiens
MMDBp0193635	Apoptosis-inducing factor 1, mitochondrial	Unknown	O95831	Homo sapiens
MMDBp0193655	Cryptochrome-1	Unknown	Q16526	Homo sapiens
MMDBp0193809	Dual oxidase 2	Unknown	Q9NRD8	Homo sapiens
MMDBp0193922	Probable D-lactate dehydrogenase, mitochondrial	Unknown	Q86WU2	Homo sapiens
MMDBp0193998	Isobutyryl-CoA dehydrogenase, mitochondrial	Unknown	Q9UKU7	Homo sapiens
MMDBp0193999	Acyl-CoA dehydrogenase family member 9, mitochondrial	Unknown	Q9H845	Homo sapiens
MMDBp0194002	Probable proline dehydrogenase 2	Unknown	Q9UF12	Homo sapiens
MMDBp0194050	Dual oxidase 1	Unknown	Q9NRD9	Homo sapiens
MMDBp0194051	Thioredoxin reductase 3	Unknown	Q86VQ6	Homo sapiens
MMDBp0194062	NADH-cytochrome b5 reductase 1	Unknown	Q9UHQ9	Homo sapiens
MMDBp0194063	NADH-cytochrome b5 reductase 2	Unknown	Q6BCY4	Homo sapiens
MMDBp0194064	Cytochrome b5 reductase 4	Unknown	Q7L1T6	Homo sapiens
MMDBp0194065	NADH-cytochrome b5 reductase-like	Unknown	Q6IPT4	Homo sapiens
MMDBp0194153	Putative uncharacterized protein DKFZp686B0215	Enzyme	Q5HYI4	Homo sapiens
MMDBp0194187	FAD synthase	Unknown	Q8NFF5	Homo sapiens
MMDBp0194194	Ubiquinone biosynthesis monooxygenase COQ6	Unknown	Q9Y2Z9	Homo sapiens
MMDBp0194617	NADPH oxidase 5	Unknown	Q96PH1	Homo sapiens
MMDBp0194993	NADPH oxidase 3	Unknown	Q9HBY0	Homo sapiens
MMDBp0195029	Metalloreductase STEAP3	Unknown	Q658P3	Homo sapiens
MMDBp0195030	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P49748	Homo sapiens
MMDBp0195031	Acyl-coenzyme A oxidase-like protein	Unknown	Q9NUZ1	Homo sapiens
MMDBp0195032	Apoptosis-inducing factor 2	Unknown	Q9BRQ8	Homo sapiens
MMDBp0195033	Apoptosis-inducing factor 3	Unknown	Q96NN9	Homo sapiens
MMDBp0195034	FAD-linked sulfhydryl oxidase ALR	Unknown	P55789	Homo sapiens
MMDBp0195035	Lysine-specific histone demethylase 1B	Unknown	Q8NB78	Homo sapiens
MMDBp0195036	Cryptochrome-2	Unknown	Q49AN0	Homo sapiens
MMDBp0195037	tRNA-dihydrouridine synthase 1-like	Unknown	Q6P1R4	Homo sapiens
MMDBp0195038	tRNA-dihydrouridine synthase 3-like	Unknown	Q96G46	Homo sapiens
MMDBp0195039	tRNA-dihydrouridine synthase 4-like	Unknown	O95620	Homo sapiens
MMDBp0195040	ERO1-like protein alpha	Unknown	Q96HE7	Homo sapiens
MMDBp0195041	ERO1-like protein beta	Unknown	Q86YB8	Homo sapiens
MMDBp0195042	FAD-dependent oxidoreductase domain-containing protein 1	Unknown	Q96CU9	Homo sapiens
MMDBp0195043	FAD-dependent oxidoreductase domain-containing protein 2	Unknown	Q8IWF2	Homo sapiens
MMDBp0195044	Lysine-specific histone demethylase 1A	Unknown	O60341	Homo sapiens
MMDBp0195045	Protein-methionine sulfoxide oxidase MICAL1	Unknown	Q8TDZ2	Homo sapiens
MMDBp0195046	Protein-methionine sulfoxide oxidase MICAL2	Unknown	O94851	Homo sapiens
MMDBp0195047	Protein-methionine sulfoxide oxidase MICAL3	Unknown	Q7RTP6	Homo sapiens
MMDBp0195048	Protein MTO1 homolog, mitochondrial	Unknown	Q9Y2Z2	Homo sapiens
MMDBp0195049	NADPH-dependent diflavin oxidoreductase 1	Unknown	Q9UHB4	Homo sapiens
MMDBp0195050	NADPH oxidase 1	Unknown	Q9Y5S8	Homo sapiens
MMDBp0195051	NADPH oxidase 4	Unknown	Q9NPH5	Homo sapiens
MMDBp0195052	L-amino-acid oxidase	Unknown	Q96RQ9	Homo sapiens
MMDBp0195053	Oxidoreductase NAD-binding domain-containing protein 1	Unknown	Q96HP4	Homo sapiens
MMDBp0195054	Prenylcysteine oxidase 1	Unknown	Q9UHG3	Homo sapiens
MMDBp0195055	Prenylcysteine oxidase-like	Unknown	Q8NBM8	Homo sapiens
MMDBp0195056	[Pyruvate dehydrogenase [acetyl-transferring]]-phosphatase 2, mitochondrial	Unknown	Q9P2J9	Homo sapiens
MMDBp0195057	Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1	Unknown	Q8WU10	Homo sapiens
MMDBp0195058	Sulfhydryl oxidase 1	Unknown	O00391	Homo sapiens
MMDBp0195059	Sulfhydryl oxidase 2	Unknown	Q6ZRP7	Homo sapiens
MMDBp0195060	Renalase	Unknown	Q5VYX0	Homo sapiens
MMDBp0195061	All-trans-retinol 13,14-reductase	Unknown	Q6NUM9	Homo sapiens
MMDBp0195062	Sulfide:quinone oxidoreductase, mitochondrial	Unknown	Q9Y6N5	Homo sapiens
MMDBp0195063	Metalloreductase STEAP1	Unknown	Q9UHE8	Homo sapiens
MMDBp0195064	Metalloreductase STEAP2	Unknown	Q8NFT2	Homo sapiens
MMDBp0195065	Metalloreductase STEAP4	Unknown	Q687X5	Homo sapiens
MMDBp0196143	NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa	Enzyme	A4D1T5	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Nitric Oxide Signaling Pathway
Ion Channels and Their Functional Role in Vascular Endothelium
NAD+ Signalling Pathway (Cancer)
NAD+ Signalling and Aging
Succinate Signalling During Inflammation

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0000193	2-Methylbutyryl-CoA	Tiglyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Acyl Coenzyme A Dehydrogenase (2-Methylbutanoyl Coenzyme A), Mitochondrial	VMH	11013134
MMDBr0000194	Butyryl-CoA	Crotonoyl-CoA	Acyl-coa dehydrogenase family, member 10	Acyl Coenzyme A Dehydrogenase (Butanoyl Coenzyme A), Mitochondrial	VMH	2565344
MMDBr0000195	FAD	3-Methylcrotonyl-CoA	Isovaleryl-coa dehydrogenase	Acyl Coenzyme A Dehydrogenase (Isovaleryl Coenzyme A), Mitochondrial	VMH	9214289
MMDBr0000196	FAD	Methacrylyl-CoA	Acyl-coa dehydrogenase family, member 8	Acyl Coenzyme A Dehydrogenase (Isobutyryl Coenzyme A), Mitochondrial	VMH	11013134
MMDBr0000201	3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA	FAD	Acyl-coa oxidase 2, branched chain	Acyl-Coenzyme A Oxidase 2, Branched Chain	VMH	11181649
MMDBr0000472	Choline	Betaine aldehyde	Choline dehydrogenase	Choline Dehydrogenase (FAD Acceptor), Mitochondrial	VMH	15321791
MMDBr0000667	FADH2	FAD	24-dehydrocholesterol reductase	24-Dehydrocholesterol Reductase [Precursor]	VMH	17984220 19520779 19520780
MMDBr0000668	5a-Cholesta-7,24-dien-3b-ol	FAD	Cytochrome p450, family 7, subfamily a, polypeptide 1	24-Dehydrocholesterol Reductase [Precursor]	VMH	17984220 19520779 19520780
MMDBr0000669	Desmosterol	Cholesterol	24-dehydrocholesterol reductase	24-Dehydrocholesterol Reductase [Precursor]	VMH	17984220 19520779 19520780
MMDBr0000672	Dihydroceramide	Ceramide (d18:1/18:0)	Delta(4)-desaturase, sphingolipid 1	Dihydroceramide Desaturase	VMH	9188692
MMDBr0000715	Dimethylglycine	FADH2	Dimethylglycine dehydrogenase	Dimethylglycine Dehydrogenase, Mitochondrial	VMH	10767172 1123190
MMDBr0001132	FAD	Adenosine monophosphate	Ectonucleotide pyrophosphatase/phosphodiesterase 1	FAD Diphosphatase	VMH	1315502
MMDBr0001135	FAD	FAD	Not Available	Transport of FAD, Endoplasmic Reticulum	VMH	30371894
MMDBr0001136	FAD	FAD	Not Available	Transport of FAD, Peroxisomal	VMH	30371894
MMDBr0001148	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	2565344
MMDBr0001149	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid (Odd Chain)	VMH	2565344
MMDBr0001150	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	2565344 3035565
MMDBr0001151	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	30371894
MMDBr0001153	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001154	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001155	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid (Odd Chain)	VMH	2565344
MMDBr0001156	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	2565344 3035565
MMDBr0001158	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001159	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001160	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001161	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Fatty Acid	VMH	30371894
MMDBr0001162	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Fatty Acid	VMH	30371894
MMDBr0001165	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Fatty Acid	VMH	30371894
MMDBr0001167	Eicosanoyl-CoA	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	30371894
MMDBr0001169	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Fatty Acid	VMH	30371894
MMDBr0001170	Arachidonyl-CoA	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	2565344 3035565
MMDBr0001171	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation Fatty Acid	VMH	30371894
MMDBr0001174	Adrenyl coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	30371894
MMDBr0001180	Cervonyl Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Long Chain Fatty Acid	VMH	2565344 3035565
MMDBr0001190	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Beta Oxidation of Med/Long Chain Fatty Acid	VMH	2565344 3035565
MMDBr0001255	FAD	Dihydroxyacetone phosphate	Glycerol-3-phosphate dehydrogenase 2 (mitochondrial)	Glycerol-3-Phosphate Dehydrogenase (FAD), Mitochondrial	VMH	11385633 8549872
MMDBr0001344	FAD	Crotonoyl-CoA	Glutaryl-coa dehydrogenase	Glutaryl Coenzyme A Dehydrogenase, Mitochondrial	VMH	30371894
MMDBr0001974	FAD	FADH2	Acyl-coa dehydrogenase family, member 10	Propanoyl Coenzyme A:FAD 2, 3-Oxidoreductase, Mitochondrial	VMH	12359132 12359260 15560374 2565344 3035565 7698750 8276399
MMDBr0001999	FAD	L-D-1-Pyrroline-5-carboxylic acid	Proline dehydrogenase (oxidase) 1	Proline Dehydrogenase, Mitochondrial	VMH	30371894
MMDBr0002094	FAD	FADH2	Sarcosine dehydrogenase	Sarcosine Dehydrogenase, Mitochondrial	VMH	10444331
MMDBr0002184	FAD	FADH2	Succinate dehydrogenase complex, subunit a, flavoprotein (fp)	Succinate Dehydrogenase	VMH	30371894
MMDBr0002748	FAD	FAD	Not Available	Facilitated Diffusion	VMH	14977409 17466261
MMDBr0002905	FAD	FAD	Not Available	Postulated Transport Reaction	VMH	8584017
MMDBr0002925	FADH2	FAD	Not Available	Virtual ReactionPotential Definition	VMH	17466261
MMDBr0002975	FAD	FADH2	Acyl-coa dehydrogenase, long chain	Long-Chain-Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0003988	FAD	Trans,Cis,Cis-2,9,12-Octadecatrienoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE1516M	VMH	10407780 11356167 8973539
MMDBr0003989	FAD	Trans,Cis,Cis-2,9,12-Octadecatrienoyl Coenzyme A	Acyl-coa oxidase 1, palmitoyl	RE1516X	VMH	10407780 11356167 8973539
MMDBr0003990	Cis,Cis-Palmito-7,10-Dienoyl Coenzyme A	Trans,Cis,Cis-2,7,10-Hexadecatrienoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE1517M	VMH	10407780 11356167 8973539
MMDBr0003991	Cis,Cis-Palmito-7,10-Dienoyl Coenzyme A	Trans,Cis,Cis-2,7,10-Hexadecatrienoyl Coenzyme A	Acyl-coa oxidase 1, palmitoyl	RE1517X	VMH	10407780 11356167 8973539
MMDBr0003992	4-Decenoyl Coenzyme A	trans-Delta2, cis-delta4-decadienoyl-CoA	Acyl-coa oxidase 1, palmitoyl	RE1519X	VMH	10407780 11356167 8973539
MMDBr0004400	FAD	Trans,Cis-Hexadeca-2,9-Dienoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE2913M	VMH	1047780 11135616 8973539
MMDBr0004401	FAD	Trans,Cis-Hexadeca-2,9-Dienoyl Coenzyme A	Acyl-coa oxidase 1, palmitoyl	RE2913X	VMH	1047780 11135616 8973539
MMDBr0004402	Cis-Myrist-7-Enoyl Coenzyme A	Trans,Cis-Myristo-2,7-Dienoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE2914M	VMH	1047780 11135616 8973539
MMDBr0004403	Cis-Myrist-7-Enoyl Coenzyme A	Trans,Cis-Myristo-2,7-Dienoyl Coenzyme A	Acyl-coa oxidase 1, palmitoyl	RE2914X	VMH	1047780 11135616 8973539
MMDBr0004600	4(R),8-Dimethyl-Nonanoyl Coenzyme A	4(R),8-Dimethyl-Trans-2-Nonenoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE3184M	VMH	10407780 9469587 9819701
MMDBr0004601	2(S),6-Dimethyl-Heptanoyl Coenzyme A	2,6-Dimethyl-Trans-2-Heptenoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE3185M	VMH	10407780 9469587 9819701
MMDBr0004602	4-Methyl-Pentanoyl Coenzyme A	4-Methyl-Trans-2-Pentenoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	RE3186M	VMH	10407780 9469587 9819701
MMDBr0004686	Arachidonic acid	5,6-Epoxy-8,11,14-eicosatrienoic acid	Not Available	Unspecific Monooxygenase	VMH	8651708
MMDBr0004687	Arachidonic acid	5,6-Epoxy-8,11,14-eicosatrienoic acid	Cytochrome p450, family 19, subfamily a, polypeptide 1	Unspecific Monooxygenase	VMH	8651708
MMDBr0004688	Arachidonic acid	11,12-Epoxyeicosatrienoic acid	Not Available	Unspecific Monooxygenase	VMH	8651708
MMDBr0004689	Arachidonic acid	11,12-Epoxyeicosatrienoic acid	Cytochrome p450, family 19, subfamily a, polypeptide 1	Unspecific Monooxygenase	VMH	8651708
MMDBr0004690	Arachidonic acid	8,9-Epoxyeicosatrienoic acid	Not Available	Unspecific Monooxygenase	VMH	8651708
MMDBr0004691	Arachidonic acid	8,9-Epoxyeicosatrienoic acid	Cytochrome p450, family 19, subfamily a, polypeptide 1	Unspecific Monooxygenase	VMH	8651708
MMDBr0004692	Arachidonic acid	14,15-Epoxy-5,8,11-eicosatrienoic acid	Not Available	Unspecific Monooxygenase	VMH	8651708
MMDBr0004693	Arachidonic acid	14,15-Epoxy-5,8,11-eicosatrienoic acid	Cytochrome p450, family 19, subfamily a, polypeptide 1	Unspecific Monooxygenase	VMH	8651708
MMDBr0004740	FAD	FADH2	Not Available	RE3347C	VMH	10620517
MMDBr0005175	4-Decenoyl Coenzyme A	trans-Delta2, cis-delta4-decadienoyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Fatty Acid Beta Oxidation (C10:1->C10:2), Mitochondrial	VMH	15337167
MMDBr0005183	4,7-Decadienoyl Coenzyme A	2,4,7-Decatrienoyl Coenzyme A	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Fatty Acid Beta Oxidation (C10:2->C10:3), Mitochondrial	VMH	15337167
MMDBr0005191	Decanoyl-CoA (N-C10:0CoA)	(S)-Hydroxydecanoyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Fatty Acid Beta Oxidation (C10->Ohc10), Mitochondrial	VMH	1730577 1912723 7318031
MMDBr0005192	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C10->C8), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005196	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C11->C9), Mitochondrial	VMH	18391478 HMDB00847
MMDBr0005197	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C12:1->C10:1), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005205	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C12->C10), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005207	Lauroyl-CoA	(S)-3-Hydroxydodecanoyl-CoA	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Fatty Acid Beta Oxidation (C12->Ohc12), Mitochondrial	VMH	1730577 HMDB00387
MMDBr0005213	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C13->C11), Mitochondrial	VMH	18391478
MMDBr0005214	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C14:1->C12:1), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005216	FAD	3-Hydroxy Tetradecenoyl-7 Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C14:1->C14:1Oh), Mitochondrial	VMH	21281499
MMDBr0005217	5,8,11-Tetradecatrienoyl Coenzyme A	3,6,9-Dodecatrienoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C14:3->C12:3), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005219	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C14->C12), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005221	FAD	(S)-3-Hydroxytetradecanoyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C14->C14Oh), Mitochondrial	VMH	11427448
MMDBr0005225	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C15->C13), Mitochondrial	VMH	18391478
MMDBr0005228	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:1->C14:1), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005230	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:2->C14:2), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005231	FAD	3-Hydroxy Trans7,10-Hexadecadienoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:2->C16:2Oh), Mitochondrial	VMH	21281499
MMDBr0005233	Coenzyme A	5,8,11-Tetradecatrienoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:3->C14:3), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005234	4,7,10-Hexadecatrienoyl Coenzyme A	FADH2	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:3->C16:4), Mitochondrial	VMH	17374501
MMDBr0005242	4,7,10,13-Hexadecatetraenoyl Coenzyme A	FADH2	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16:4->C16:5), Mitochondrial	VMH	17374501
MMDBr0005250	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16->C14), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005252	FAD	(S)-3-Hydroxyhexadecanoyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C16->C16Oh), Mitochondrial	VMH	9510849 10657369
MMDBr0005256	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C17->C15), Mitochondrial	VMH	18391478
MMDBr0005257	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:1->C16:1), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005259	FAD	3-Hydroxyoctadecenoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:1->C18:1Oh), Mitochondrial	VMH	9510849
MMDBr0005260	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:2->C16:2), Mitochondrial	VMH
MMDBr0005261	Coenzyme A	4,7,10-Hexadecatrienoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:3->C16:3), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005262	Coenzyme A	Acetyl-CoA	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:3->C16:3), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005265	Coenzyme A	4,7,10,13-Hexadecatetraenoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C18:4->C16:4), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005268	FAD	(3R)-3-hydroxy-stearoyl-CoA	Not Available	Fatty Acid Beta Oxidation (C18->C18Oh), Mitochondrial	VMH	11751554
MMDBr0005271	5,8,11,14,17-Eicosapentenoyl Coenzyme A	3,6,9,12,15-Octadecapentenoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C20:5->C18:5), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005273	Docosa-4,7,10,13,16-pentaenoyl CoA	2,4,7,10,13,16-Docosahexenoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C22:5->C22:6), Mitochondrial	VMH	17374501
MMDBr0005280	Cervonyl Coenzyme A	2,4,7,10,13,16,19-Docosaheptenoyl Coenzyme A	Acyl-coa dehydrogenase, very long chain	Fatty Acid Beta Oxidation (C22:6->C22:7), Mitochondrial	VMH	17374501
MMDBr0005289	Butyryl-CoA	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C4->C2), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005291	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C5->C3), Mitochondrial	VMH	10200137
MMDBr0005299	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C6->C4), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005302	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C7->C5), Mitochondrial	VMH	18391478
MMDBr0005303	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C8:1->C6:1), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005305	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C8->C6), Mitochondrial	VMH	20195903 20490924 17143551
MMDBr0005308	Coenzyme A	Acetyl-CoA	Not Available	Fatty Acid Beta Oxidation (C9Br->C7Br), Mitochondrial	VMH	9469587 HMDB06258 9714723 11591435
MMDBr0005309	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 2	Fatty Acid Beta Oxidation (C9->C7), Mitochondrial	VMH	18391478 HMDB00666
MMDBr0005314	FAD	Cis2Trans4Decadienoyl Coenzyme A	Acyl-coa dehydrogenase, c-4 to c-12 straight chain	Fatty Acid Beta Oxidation Trans (C10:1->C10:2), Mitochondrial	VMH	15337167
MMDBr0005470	FAD	Adenosine monophosphate	Ectonucleotide pyrophosphatase/phosphodiesterase 1	FAD Diphosphatase	VMH	30371894
MMDBr0005471	FADH2	FAD	Electron-transfer-flavoprotein, alpha polypeptide	Complex Ii Reaction for Respiratory Chain	VMH	30371894
MMDBr0005472	FAD	FAD	Not Available	Transport of FAD into Mitochondria	VMH	30371894
MMDBr0005483	FAD	Dihydroxyacetone phosphate	Not Available	Glycerophosphate Shuttle for Trasnfer of Reducing Equivalents	VMH	30371894
MMDBr0007012	FAD	FADH2	Not Available	Glutaryl-CoA dehydrogenase	VMH	30371894
MMDBr0007032	FAD	Crotonoyl-CoA	Not Available	Glutaryl-CoA dehydrogenase	VMH	30371894
MMDBr0007185	D-Alanine	FADH2	Not Available	D-Amino acid dehydrogenase	VMH	30371894
MMDBr0007198	FAD	FADH2	Not Available	(S)-Malate:FAD oxidoreductase	VMH	30371894
MMDBr0007212	4-Hydroxyproline	Pyrroline hydroxycarboxylic acid	Not Available	Proline dehydrogenase (trans-4-Hydroxy-L-proline)	VMH	30371894
MMDBr0007404	Adenosine triphosphate	FAD	Not Available	FMN Adenylyltransferase	VMH	30371894
MMDBr0007544	FAD	L-D-1-Pyrroline-5-carboxylic acid	Not Available	Proline Dehydrogenase	VMH	30371894
MMDBr0007573	FAD	FADH2	Not Available	Succinate dehydrogenase	VMH	30371894
MMDBr0007818	FAD	Dihydroxyacetone phosphate	Not Available	Glycerol 3 phosphate dehydrogenase FAD	VMH	30371894
MMDBr0008118	FAD	2-Dehydro-D-gluconate	Not Available	Gluconate 2-dehydrogenase (acceptor)	VMH	30371894
MMDBr0008126	dUMP	5-Thymidylic acid	Not Available	Thymidylate synthase (Flavin-dependent, NAD)	VMH	30371894
MMDBr0008271	Adenosine monophosphate	Adenosine phosphosulfate	Not Available	AMP,sulfite:(FAD) oxidoreductase	VMH	30371894
MMDBr0008316	FAD	3-Methylcrotonyl-CoA	Not Available	3-Methylbutanoyl-CoA:(acceptor) 2,3-oxidoreductase	VMH	30371894
MMDBr0008488	2-Methylbutyryl-CoA	Tiglyl-CoA	Not Available	(S)-2-methylbutanoyl-coa[c]:acceptor 2,3-oxidoreductase	VMH	30371894
MMDBr0008489	FAD	Methacrylyl-CoA	Not Available	2-Methylpropanoyl-coa[c]:(acceptor) 2,3-oxidoreductase	VMH	30371894
MMDBr0008495	FAD	FADH2	Not Available	L-pipecolate dehydrogenase (1.5.99.3), reversible	VMH	30371894
MMDBr0008525	FAD	FADH2	Not Available	(S)-Malate:FAD oxidoreductase, irreversible	VMH	30371894
MMDBr0008527	FAD	Dihydroxyacetone phosphate	Not Available	Glycerol 3 phosphate dehydrogenase FAD irreversible	VMH	30371894
MMDBr0008534	Butyryl-CoA	Crotonoyl-CoA	Not Available	Acyl-CoA dehydrogenase (butanoyl-CoA)	VMH	30371894
MMDBr0008536	FAD	FADH2	Not Available	Succinate dehydrogenase	VMH	30371894
MMDBr0008610	FAD	FADH2	Not Available	Acyl Coenzyme A Dehydrogenase for Glutaryl Coenzyme A, Forming Trans-Delta-2-Glutaryl Coenzyme A	VMH	30371894
MMDBr0008617	FAD	FADH2	Not Available	Formation of Glutaconyl Coenzyme A	VMH	30371894
MMDBr0008832	FAD	FADH2	Acyl-coa dehydrogenase, long chain	Dehydrogenation of Heptadecanoyl Coa	VMH	30371894
MMDBr0009312	Dihydroxyacetone phosphate	FAD	Glycerol-3-phosphate dehydrogenase 2 (mitochondrial)	Sn-Glycerol-3-Phosphate: (Acceptor) 2-Oxidoreductase	VMH	30371894
MMDBr0009370	Oxoglutaric acid	FAD	L-2-hydroxyglutarate dehydrogenase	2-Hydroxyglutarate: (Acceptor) 2-Oxidoreductase	VMH	30371894
MMDBr0009480	Coenzyme A	Acetyl-CoA	Not Available	HMR_1247	VMH	30371894
MMDBr0010040	Docosanoyl-CoA	trans-docos-2-enoyl-CoA	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010044	Eicosanoyl-CoA	(2E)-eicosenoyl-CoA	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010048	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010052	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010053	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010054	Lauroyl-CoA	(2E)-Dodecenoyl-CoA	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010055	Decanoyl-CoA (N-C10:0CoA)	(2E)-Decenoyl-CoA	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010056	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010057	FAD	FADH2	Acyl-coa dehydrogenase, short/branched chain	2-Methyl-Branched-Chain-Enoyl Coenzyme A Reductase	VMH	30371894
MMDBr0010058	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010062	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010066	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010070	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010074	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010078	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010082	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010086	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010090	FAD	FADH2	Acyl-coa dehydrogenase, short/branched chain	2-Methyl-Branched-Chain-Enoyl Coenzyme A Reductase	VMH	30371894
MMDBr0010094	13Z-docosenoyl-CoA	Trans,Cis-2,13-Docosadienoyl Coenzyme A	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010098	11Z-Eicosenoyl Coenzyme A	Trans,Cis-2,11-Eicosadienoyl Coenzyme A	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010103	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010107	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010111	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010115	FAD	FADH2	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010120	cis,cis-3,6-Dodecadienoyl-CoA	trans,cis-Lauro-2,6-dienoyl-CoA	Enoyl coa hydratase 1, peroxisomal	Dodecenoyl Coenzyme A Isomerase	VMH	30371894
MMDBr0010162	Coenzyme A	Acetyl-CoA	Not Available	HMR_3396	VMH	30371894
MMDBr0010163	Coenzyme A	Acetyl-CoA	Not Available	HMR_3397	VMH	30371894
MMDBr0010164	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010165	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010166	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010167	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010168	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010169	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010170	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010171	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010172	Adrenyl coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010173	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010174	(11Z,14Z)-Icosadienoyl Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010175	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010176	10Z,13Z,16Z-Docosatrienoyl Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010177	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010178	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010179	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010180	Clupanodonyl CoA	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010181	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010182	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010183	10Z,13Z,16Z,19Z-Docosatetraenoyl Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010184	8Z,11Z,14Z-eicosatrienoyl-CoA	Trans-2-Cis,Cis,Cis-8,11,14-Eicosatetraenoyl Coenzyme A	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010188	FAD	2E,6Z,9Z,12Z-Octadecatetraenoyl Coenzyme A	Acyl-coa dehydrogenase family, member 9	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010200	4,8 Dimethylnonanoyl Coenzyme A	4(R),8-Dimethyl-Trans-2-Nonenoyl Coenzyme A	Acyl-coa dehydrogenase, long chain	Medium-Chain Acyl Coenzyme A Dehydrogenase	VMH	30371894
MMDBr0010376	FAD	FADH2	Biliverdin reductase b (flavin reductase (nadph))	FADH2:NADP+ Oxidoreductase	VMH	30371894
MMDBr0010752	Coenzyme A	Acetyl-CoA	Acetyl-coa acyltransferase 1	Enoyl Coenzyme A Hydratase	VMH	30371894
MMDBr0010953	FAD	FADH2	Not Available	FAD reductase	VMH	30371894
MMDBr0010983	Butyryl-CoA	Crotonoyl-CoA	Not Available	Acyl-CoA dehydrogenase (butanoyl-CoA)	VMH	30371894
MMDBr0010989	4-Hydroxyproline	Pyrroline hydroxycarboxylic acid	Not Available	Proline dehydrogenase (trans-4-Hydroxy-L-proline), irreversible	VMH	30371894
MMDBr0011025	Oxoglutaric acid	Carbon dioxide	Not Available	A-ketoglutarate oxidase	VMH	30371894
MMDBr0012869	Dimethylamine	Formaldehyde	Dimethylamine dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0013017	Adenosine triphosphate	adenosylcob(III)yrinate a,c-diamide	Corrinoid adenosyltransferase	Transfers of an adenosyl group	RHEA	34755880
MMDBr0013057	Hydrogen Ion	Dimethylamine	Trimethylamine dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0013171	cyclohex-1-ene-1-carbonyl-CoA	cyclohexa-1,5-diene-1-carbonyl-CoA	Cyclohex-1-ene-1-carbonyl-CoA dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0013633	Adenosine triphosphate	diphosphate	Probable FAD synthase	Phosphorylation; Synthesis	RHEA	34755880
MMDBr0014047	(R)-2-benzylsuccinyl-CoA	(E)-2-benzylidenesuccinyl-CoA	(R)-benzylsuccinyl-CoA dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0014406	butanoyl-CoA	Crotonoyl-CoA	Acyl-CoA dehydrogenase, short-chain specific	Dehydrogenation	RHEA	34755880
MMDBr0014695	2-Aminobenzoic acid	3-Hydroxyanthranilic acid	Anthranilate 3-monooxygenase oxygenase component	Oxygenation	RHEA	34755880
MMDBr0014852	Adenosine triphosphate	coenzyme B12	Corrinoid adenosyltransferase	Transfers of an adenosyl group	RHEA	34755880
MMDBr0014972	FADH2	FAD	Flavin reductase	Hydroxylation; Redox reaction; Reduction	RHEA	34755880
MMDBr0014973	FAD	FADH2	FADH(2)-dependent resorcinol hydroxylase, reductase component	Hydroxylation; Reduction	RHEA	34755880
MMDBr0014974	FADH2	FAD	NADPH-flavin oxidoreductase	Redox reaction; Reduction	RHEA	34755880
MMDBr0014999	p-Hydroxyphenylacetic acid	3,4-Dihydroxybenzeneacetic acid	4-hydroxyphenylacetate 3-monooxygenase oxygenase component	Hydroxylation; Oxygenation	RHEA	34755880
MMDBr0015041	15-cis-4,4'-diapophytoene	all-trans-4,4'-diapolycopene	4,4'-diapophytoene desaturase (4,4'-diapolycopene-forming)	Desaturation	RHEA	34755880
MMDBr0015074	FADH2	(2S)-2-phenyloxirane	Styrene monooxygenase StyA	Oxygenation	RHEA	34755880
MMDBr0015280	FAD	FADH2	Decaprenylphosphoryl-beta-D-ribose oxidase	Oxidation	RHEA	34755880
MMDBr0015661	cyclohexane-1-carbonyl-CoA	cyclohex-1-ene-1-carbonyl-CoA	Cyclohexane-1-carbonyl-CoA dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0015868	15-cis-4,4'-diapophytoene	all-trans-4,4'-diaponeurosporene	4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)	Desaturation	RHEA	34755880
MMDBr0015902	Hydrogen Ion	(2E)-Hexadecenoyl-CoA	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0015907	Hydrogen Ion	(2E)-hexenoyl-CoA	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0016110	Methyl-Succinyl Coenzyme A	Mesaconyl-CoA	(2S)-methylsuccinyl-CoA dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0016286	Hydrogen Ion	(2E)-Octadecenoyl-CoA	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0016288	Lauroyl-CoA	(2E)-Dodecenoyl-CoA	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0016381	decanoyl-CoA	(2E)-Decenoyl-CoA	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0016410	Isobutylamine	FAD	Isobutylamine N-hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0016424	FAD	FADH2	Hydroxysqualene dehydroxylase	Hydroxylation	RHEA	34755880
MMDBr0016505	FADH2	benzene-1,2,4-triol	FADH(2)-dependent resorcinol hydroxylase, oxygenase component	Hydroxylation	RHEA	34755880
MMDBr0016506	FADH2	benzene-1,2,4-triol	FADH(2)-dependent resorcinol hydroxylase, oxygenase component	Hydroxylation	RHEA	34755880
MMDBr0016520	Chloride ion	7-chlorotetracycline	Tetracycline 7-halogenase	Chlorination; Halocyclization	RHEA	34755880
MMDBr0016554	gamma-Butyrobetainyl-CoA	Crotonobetainyl-CoA	Crotonobetainyl-CoA reductase	Reduction	RHEA	34755880
MMDBr0016615	3-(methylsulfanyl)propanoyl-CoA	3-(methylsulfanyl)acryloyl-CoA	3-methylmercaptopropionyl-CoA dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0016860	FADH2	(Z)-2-((N-methylformamido)methylene)-5-hydroxybutanolactone	Flavin-dependent trigonelline monooxygenase, oxygenase component	Oxygenation	RHEA	34755880
MMDBr0016861	FADH2	(Z)-2-((N-methylformamido)methylene)-5-hydroxybutanolactone	Flavin-dependent trigonelline monooxygenase, oxygenase component	Oxygenation	RHEA	34755880
MMDBr0016886	Guaiacol	Pyrocatechol	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016887	Methoxybenzene	Formaldehyde	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016888	3-methoxycatechol	Pyrogallol	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016889	guaethol	Acetaldehyde	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0016890	2-methylanisole	2-mMethyl-phenol	Aromatic O-demethylase, cytochrome P450 subunit	Demethylation	RHEA	34755880
MMDBr0017038	Hydrogen Ion	(E)-4-coumarate	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017039	(E)-4-coumarate	Hydrogen Ion	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017040	3-phenylpropanoic acid	trans-Cinnamic acid	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017041	trans-Cinnamic acid	3-phenylpropanoic acid	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017043	3-(1H-indol-3-yl)propanoic acid	(E)-3-(indol-3-yl)acrylic acid	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017044	(E)-3-(indol-3-yl)acrylic acid	3-(1H-indol-3-yl)propanoic acid	3-(aryl)acrylate reductase	Reduction	RHEA	34755880
MMDBr0017200	(+)-premalbrancheamide	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017201	(+)-premalbrancheamide	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017206	(+)-premalbrancheamide	(+)-malbrancheamide B	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017207	(+)-premalbrancheamide	(+)-malbrancheamide B	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017208	(+)-premalbrancheamide	(+)-isomalbrancheamide B	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017209	(+)-premalbrancheamide	(+)-isomalbrancheamide B	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017210	(+)-malbrancheamide B	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017211	(+)-malbrancheamide B	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017212	(+)-isomalbrancheamide B	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017213	(+)-isomalbrancheamide B	Malbrancheamide	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017216	(+)-premalbrancheamide	(+)-malbrancheamide C	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017217	(+)-premalbrancheamide	(+)-malbrancheamide C	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017275	(+)-premalbrancheamide	(+)-isomalbrancheamide C	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017276	(+)-premalbrancheamide	(+)-isomalbrancheamide C	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017277	(+)-malbrancheamide B	(+)-malbrancheamide D	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017278	(+)-malbrancheamide B	(+)-malbrancheamide D	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017279	(+)-isomalbrancheamide B	(+)-isomalbrancheamide D	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017280	(+)-isomalbrancheamide B	(+)-isomalbrancheamide D	Flavin-dependent halogenase malA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017333	Chloride ion	FAD	Flavine halogenase ascD	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017334	Chloride ion	FAD	Flavine halogenase ascD	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017400	Chloride ion	dihydrogeodin	Sulochrin halogenase	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017401	Chloride ion	dihydrogeodin	Sulochrin halogenase	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017609	Adenosine triphosphate	Adenosyl cobinamide	Corrinoid adenosyltransferase EutT	Transfers of an adenosyl group	RHEA	34755880
MMDBr0017651	Chloride ion	6'-chloromelleolide F	Flavin-dependent halogenase armH1	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017652	Chloride ion	6'-chloromelleolide F	Flavin-dependent halogenase armH1	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017653	bromide	6'-bromomelleolide F	Flavin-dependent halogenase armH4	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017654	bromide	6'-bromomelleolide F	Flavin-dependent halogenase armH4	Chlorination; Halocyclization	RHEA	34755880
MMDBr0017927	Chloride ion	7-chloro-L-tryptophan	Flavin-dependent tryptophan halogenase PrnA	Chlorination; Halocyclization	RHEA	34755880
MMDBr0018428	Succinic acid	Fumaric acid	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	Dehydrogenation	PathBank	31602464
MMDBr0019060	Hydrogen Ion	FAD	Bifunctional riboflavin kinase/FMN adenylyltransferase	Phosphorylation	PathBank	31602464
MMDBr0019650	Flavin mononucleotide	FAD	Flavin adenine dinucleotide synthase	Synthesis	PathBank	31602464
MMDBr0024482	Hydrogen Ion	FADH2	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0024575	Hydrogen Ion	FADH2	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0024761	FADH2	Hydrogen Ion	Electron transfer flavoprotein-ubiquinone oxidoreductase	Redox reaction	RHEA	34755880
MMDBr0024966	L-Threonine	Hydrogen Ion	FAD:protein FMN transferase	Transfer of the FMN moiety of FAD	RHEA	34755880
MMDBr0025011	Oxygen	Water	(3S)-3-amino-3-(3-chloro-4-hydroxyphenyl)propanoyl-[peptidyl-carrier protein SgcC2] monooxygenase	Oxygenation	RHEA	34755880
MMDBr0025012	Oxygen	Water	(3S)-3-amino-3-(3-chloro-4-hydroxyphenyl)propanoyl-[peptidyl-carrier protein SgcC2] monooxygenase	Oxygenation	RHEA	34755880
MMDBr0025262	Hydrogen Ion	FADH2	Broad-specificity linear acyl-CoA dehydrogenase FadE5	Dehydrogenation	RHEA	34755880
MMDBr0025559	Hydrogen Ion	FADH2	L-prolyl-[peptidyl-carrier protein] dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0025609	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880
MMDBr0025610	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880
MMDBr0025611	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880
MMDBr0025612	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880
MMDBr0025613	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880
MMDBr0025614	Oxygen	Water	1H-pyrrole-2-carbonyl-[peptidyl-carrier protein] chlorinase	Synthesis	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Anorexia nervosa		Association	Human Blood	HMDB	10197568

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Bacteroidetes	127	Human stool; Human ; Human feces; Human appendix biopsy; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	408	Human stool; Human ; Human urine; Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human mucosa; Human supragingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Actinobacteria	140	Human vaginal fluid; Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	239	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	7	Human feces; Human	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria/NULL	Proteobacteria	3	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	6	Human feces; Human saliva	Unknown
Bacteria/NULL	Actinobacteria	1	Human vaginal fluid; Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	nah	1
Archaea/Archaea	Euryarchaeota	55		Metabolic reconstruction
Archaea/Archaea	Korarchaeota	1
Bacteria	Deinococcus-thermus	1
Eukaryota/Fungi	Basidiomycota	1

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Animal	Laminaria	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant		FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant		FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant		FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant		FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant		FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant		FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	0.048	0.023			uM	Adolescent (13-18 years old)	Female	Anorexia nervosa	HMDB	10197568
Human Blood	Detected and Quantified	0.061		0.044	0.078	uM	Adult (>18 years old)	Female	Normal	HMDB	18230968
Human Blood	Detected and Quantified	0.075		0.056	0.097	uM	Adult (>18 years old)	Both	Normal	HMDB	12194936
Human Blood	Detected and Quantified	0.078	0.054			uM	Adolescent (13-18 years old)	Female	Normal	HMDB	10197568
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	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
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0001248

DrugBank ID

DB03147

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Flavin_adenine_dinucleotide

METLIN ID

6106

PubChem Compound

643975

PDB ID

Not Available

ChEBI ID

16238

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Kodentsova VM, Vrzhesinskaia OA, Alekseeva IA, Spirichev VB: [Comparison of biochemical criteria for supplying the human body with riboflavin]. Vopr Med Khim. 1991 Sep-Oct;37(5):76-9. [PubMed:1759408 ]
Van Binsbergen CJ, Odink J, Van den Berg H, Koppeschaar H, Coelingh Bennink HJ: Nutritional status in anorexia nervosa: clinical chemistry, vitamins, iron and zinc. Eur J Clin Nutr. 1988 Nov;42(11):929-37. [PubMed:3074921 ]
Cimino JA, Noto RA, Fusco CL, Cooperman JM: Riboflavin metabolism in the hypothyroid newborn. Am J Clin Nutr. 1988 Mar;47(3):481-3. doi: 10.1093/ajcn/47.3.481. [PubMed:3348160 ]
Lopez-Anaya A, Mayersohn M: Quantification of riboflavin, riboflavin 5'-phosphate and flavin adenine dinucleotide in plasma and urine by high-performance liquid chromatography. J Chromatogr. 1987 Dec 25;423:105-13. doi: 10.1016/0378-4347(87)80332-8. [PubMed:3443641 ]
Cimino JA, Jhangiani S, Schwartz E, Cooperman JM: Riboflavin metabolism in the hypothyroid human adult. Proc Soc Exp Biol Med. 1987 Feb;184(2):151-3. doi: 10.3181/00379727-184-42459. [PubMed:3809170 ]
Flatz G, Simmersbach F: Flavin adenine dinucleotide concentration in erythrocytes with normal and deficient glucose-6-phosphate dehydrogenase. Klin Wochenschr. 1970 Sep 1;48(17):1071-2. doi: 10.1007/BF01497217. [PubMed:5523465 ]
Mohrenweiser HW, Novotny JE: ACP1GUA-1--a low-activity variant of human erythrocyte acid phosphatase: association with increased glutathione reductase activity. Am J Hum Genet. 1982 May;34(3):425-33. [PubMed:7081221 ]
Becker K, Wilkinson AR: Flavin adenine dinucleotide levels in erythrocytes of very low birthweight infants under vitamin supplementation. Biol Neonate. 1993;63(2):80-5. doi: 10.1159/000243915. [PubMed:8448258 ]
Zempleni J: Determination of riboflavin and flavocoenzymes in human blood plasma by high-performance liquid chromatography. Ann Nutr Metab. 1995;39(4):224-6. doi: 10.1159/000177866. [PubMed:8546438 ]
Lisowsky T, Lee JE, Polimeno L, Francavilla A, Hofhaus G: Mammalian augmenter of liver regeneration protein is a sulfhydryl oxidase. Dig Liver Dis. 2001 Mar;33(2):173-80. doi: 10.1016/s1590-8658(01)80074-8. [PubMed:11346147 ]
Gianazza E, Vergani L, Wait R, Brizio C, Brambilla D, Begum S, Giancaspero TA, Conserva F, Eberini I, Bufano D, Angelini C, Pegoraro E, Tramontano A, Barile M: Coordinated and reversible reduction of enzymes involved in terminal oxidative metabolism in skeletal muscle mitochondria from a riboflavin-responsive, multiple acyl-CoA dehydrogenase deficiency patient. Electrophoresis. 2006 Mar;27(5-6):1182-98. doi: 10.1002/elps.200500687. [PubMed:16470778 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for FAD (MMDBc0000567)

MOL for #<Metabolite:0x00007f5abc1a47d0>

3D MOL for #<Metabolite:0x00007f5abc1a47d0>

3D SDF for #<Metabolite:0x00007f5abc1a47d0>

3D-SDF for #<Metabolite:0x00007f5abc1a47d0>

PDB for #<Metabolite:0x00007f5abc1a47d0>

3D PDB for #<Metabolite:0x00007f5abc1a47d0>

SMILES for #<Metabolite:0x00007f5abc1a47d0>

INCHI for #<Metabolite:0x00007f5abc1a47d0>

Structure for #<Metabolite:0x00007f5abc1a47d0>

3D Structure for #<Metabolite:0x00007f5abc1a47d0>