MiMeDB: Showing metabocard for S-Adenosylmethionine (MMDBc0029582)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:33:09 UTC

Update Date

2024-04-30 19:38:22 UTC

Metabolite ID

MMDBc0029582

Metabolite Identification

Common Name

S-Adenosylmethionine

Description

S-Adenosylmethionine is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It is made from adenosine triphosphate (ATP) and methionine by methionine adenosyltransferase (EC 2.5.1.6). Transmethylation, transsulfuration, and aminopropylation are the metabolic pathways that use S-Adenosylmethionine. In bacteria, SAM is bound by the SAM riboswitch, which regulates genes involved in methionine or cysteine biosynthesis. (Wikipedia )

Structure

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

      
  Mrv1652309042000192D          

 27 29  0  0  0  0            999 V2000
10033.451410033.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10032.981910034.9408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10035.241810033.0776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10035.750210034.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10036.467110034.5267    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
10037.182010034.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10037.896910034.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10038.611910034.9408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10039.326810034.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10040.045810034.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10039.326810033.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10038.611910035.7665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10036.467110033.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10034.363910035.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10033.696510034.5358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10033.951410033.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10034.776310033.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10035.031210034.5358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10032.895610035.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10032.088710035.9328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10031.676310035.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10032.228310034.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.869310035.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.614410034.2623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10031.166410033.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10031.973310033.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10030.317310035.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  6  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 17  3  1  1  0  0  0
 18  4  1  6  0  0  0
 15  2  1  6  0  0  0
 16  1  1  1  0  0  0
 21 22  2  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 23 27  1  0  0  0  0
M  CHG  1   5   1
M  END

HMDB0001185
     RDKit          3D
S-Adenosylmethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
    2.6869   -2.5346   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008   -1.1102   -0.9998 S   0  0  0  0  0  3  0  0  0  0  0  0
    3.0086    0.1090   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    0.3869   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    1.4106   -0.5465 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3921    2.6894   -0.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9607    0.9208   -1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    1.5830   -2.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107   -0.2870   -1.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157   -0.3918    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.2882    0.8305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9212   -0.6015    1.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2654   -0.6667    1.5816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8137    0.4888    0.9063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394    1.6763    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    2.4616   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    1.7747   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4606    2.0885   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    3.3602   -1.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4694    1.2038   -0.7568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2957   -0.0006   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1223   -0.3081    0.3627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681    0.5260    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692   -1.8767    0.7391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2961   -3.0023    1.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -1.7926   -0.1674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9925   -3.1185   -0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -2.7014   -1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -2.4071    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883   -3.4642   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    1.0465   -1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683   -0.2976   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.8116    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504   -0.5467    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609    1.5769    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146    3.3432   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    3.0494   -0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   -0.5476   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890    0.5524   -0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4784   -0.0832    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -2.1521    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7705   -0.7348    2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430    1.9695    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5929    3.8204   -1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    3.8448   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -0.7443   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3849   -1.9177    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -3.5448    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -1.1281   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -3.4457   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  1
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 13 42  1  1
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  6
 27 50  1  0
M  CHG  1   2   1
M  END

      
  Mrv1652309042000192D          

 27 29  0  0  0  0            999 V2000
10033.451410033.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10032.981910034.9408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10035.241810033.0776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10035.750210034.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10036.467110034.5267    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
10037.182010034.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10037.896910034.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10038.611910034.9408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10039.326810034.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10040.045810034.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10039.326810033.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10038.611910035.7665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10036.467110033.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10034.363910035.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10033.696510034.5358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10033.951410033.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10034.776310033.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10035.031210034.5358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10032.895610035.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10032.088710035.9328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10031.676310035.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10032.228310034.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.869310035.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.614410034.2623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10031.166410033.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10031.973310033.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10030.317310035.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  6  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 17  3  1  1  0  0  0
 18  4  1  6  0  0  0
 15  2  1  6  0  0  0
 16  1  1  1  0  0  0
 21 22  2  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 23 27  1  0  0  0  0
M  CHG  1   5   1
M  END
> <DATABASE_ID>
MMDBc0029582

> <DATABASE_NAME>
MIME

> <SMILES>
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1

> <INCHI_KEY>
MEFKEPWMEQBLKI-AIRLBKTGSA-O

> <FORMULA>
C15H23N6O5S

> <MOLECULAR_WEIGHT>
399.445

> <EXACT_MASS>
399.145063566

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
40.370553374384066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

> <ALOGPS_LOGP>
-1.99

> <JCHEM_LOGP>
-5.318663457073791

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.444250657541687

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7027541004150226

> <JCHEM_PKA_STRONGEST_BASIC>
9.414366078981788

> <JCHEM_POLAR_SURFACE_AREA>
182.63000000000002

> <JCHEM_REFRACTIVITY>
96.2349

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
SAMe

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001185
     RDKit          3D
S-Adenosylmethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
    2.6869   -2.5346   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008   -1.1102   -0.9998 S   0  0  0  0  0  3  0  0  0  0  0  0
    3.0086    0.1090   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    0.3869   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    1.4106   -0.5465 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3921    2.6894   -0.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9607    0.9208   -1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    1.5830   -2.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107   -0.2870   -1.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157   -0.3918    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.2882    0.8305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9212   -0.6015    1.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2654   -0.6667    1.5816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8137    0.4888    0.9063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394    1.6763    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    2.4616   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    1.7747   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4606    2.0885   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    3.3602   -1.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4694    1.2038   -0.7568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2957   -0.0006   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1223   -0.3081    0.3627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681    0.5260    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692   -1.8767    0.7391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2961   -3.0023    1.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -1.7926   -0.1674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9925   -3.1185   -0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -2.7014   -1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -2.4071    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883   -3.4642   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    1.0465   -1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683   -0.2976   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.8116    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504   -0.5467    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609    1.5769    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146    3.3432   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    3.0494   -0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   -0.5476   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890    0.5524   -0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4784   -0.0832    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -2.1521    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7705   -0.7348    2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430    1.9695    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5929    3.8204   -1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    3.8448   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -0.7443   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3849   -1.9177    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -3.5448    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -1.1281   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -3.4457   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  1
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 13 42  1  1
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  6
 27 50  1  0
M  CHG  1   2   1
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8729.1098728.427   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0    8728.2338731.889   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0    8732.4518728.412   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8733.4008731.889   0.000  0.00  0.00           C+0
HETATM    5  S   UNK     0    8734.7398731.117   0.000  0.00  0.00           S+1
HETATM    6  C   UNK     0    8736.0738731.889   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8737.4088731.117   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8738.7428731.889   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8740.0778731.117   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8741.4198731.889   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8740.0778729.575   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0    8738.7428733.431   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0    8734.7398729.575   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8730.8138732.039   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    8729.5678731.133   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8730.0438729.669   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8731.5828729.669   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8732.0588731.133   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8728.0728733.421   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0    8726.5668733.741   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0    8725.7968732.408   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8726.8268731.263   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8724.2898732.087   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0    8723.8148730.623   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0    8724.8448729.479   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0    8726.3508729.799   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0    8723.2598733.232   0.000  0.00  0.00           N+0
CONECT    1   16                                                            
CONECT    2   15   19   22                                                  
CONECT    3   17                                                            
CONECT    4    5   18                                                       
CONECT    5    4    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   11   10                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8                                                            
CONECT   13    5                                                            
CONECT   14   15   18                                                       
CONECT   15   16   14    2                                                  
CONECT   16   15   17    1                                                  
CONECT   17   16   18    3                                                  
CONECT   18   17   14    4                                                  
CONECT   19    2   20                                                       
CONECT   20   19   21                                                       
CONECT   21   22   23   20                                                  
CONECT   22   21    2   26                                                  
CONECT   23   21   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   22                                                       
CONECT   27   23                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0001185
HETATM    1  C1  UNL     1       2.687  -2.535  -0.487  1.00  0.00           C  
HETATM    2  S1  UNL     1       1.801  -1.110  -1.000  1.00  0.00           S1+
HETATM    3  C2  UNL     1       3.009   0.109  -1.484  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.859   0.387  -0.286  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.938   1.411  -0.546  1.00  0.00           C  
HETATM    6  N1  UNL     1       4.392   2.689  -0.956  1.00  0.00           N  
HETATM    7  C5  UNL     1       5.961   0.921  -1.509  1.00  0.00           C  
HETATM    8  O1  UNL     1       6.265   1.583  -2.530  1.00  0.00           O  
HETATM    9  O2  UNL     1       6.611  -0.287  -1.307  1.00  0.00           O  
HETATM   10  C6  UNL     1       0.816  -0.392   0.267  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.230  -1.288   0.830  1.00  0.00           C  
HETATM   12  O3  UNL     1      -0.921  -0.601   1.806  1.00  0.00           O  
HETATM   13  C8  UNL     1      -2.265  -0.667   1.582  1.00  0.00           C  
HETATM   14  N2  UNL     1      -2.814   0.489   0.906  1.00  0.00           N  
HETATM   15  C9  UNL     1      -2.239   1.676   0.640  1.00  0.00           C  
HETATM   16  N3  UNL     1      -3.104   2.462  -0.003  1.00  0.00           N  
HETATM   17  C10 UNL     1      -4.234   1.775  -0.149  1.00  0.00           C  
HETATM   18  C11 UNL     1      -5.461   2.088  -0.737  1.00  0.00           C  
HETATM   19  N4  UNL     1      -5.658   3.360  -1.327  1.00  0.00           N  
HETATM   20  N5  UNL     1      -6.469   1.204  -0.757  1.00  0.00           N  
HETATM   21  C12 UNL     1      -6.296  -0.001  -0.203  1.00  0.00           C  
HETATM   22  N6  UNL     1      -5.122  -0.308   0.363  1.00  0.00           N  
HETATM   23  C13 UNL     1      -4.068   0.526   0.420  1.00  0.00           C  
HETATM   24  C14 UNL     1      -2.469  -1.877   0.739  1.00  0.00           C  
HETATM   25  O4  UNL     1      -2.296  -3.002   1.568  1.00  0.00           O  
HETATM   26  C15 UNL     1      -1.229  -1.793  -0.167  1.00  0.00           C  
HETATM   27  O5  UNL     1      -0.992  -3.119  -0.549  1.00  0.00           O  
HETATM   28  H1  UNL     1       3.515  -2.701  -1.237  1.00  0.00           H  
HETATM   29  H2  UNL     1       3.175  -2.407   0.481  1.00  0.00           H  
HETATM   30  H3  UNL     1       2.088  -3.464  -0.514  1.00  0.00           H  
HETATM   31  H4  UNL     1       2.519   1.047  -1.848  1.00  0.00           H  
HETATM   32  H5  UNL     1       3.668  -0.298  -2.303  1.00  0.00           H  
HETATM   33  H6  UNL     1       3.211   0.812   0.511  1.00  0.00           H  
HETATM   34  H7  UNL     1       4.350  -0.547   0.019  1.00  0.00           H  
HETATM   35  H8  UNL     1       5.461   1.577   0.420  1.00  0.00           H  
HETATM   36  H9  UNL     1       5.215   3.343  -1.030  1.00  0.00           H  
HETATM   37  H10 UNL     1       3.857   3.049  -0.110  1.00  0.00           H  
HETATM   38  H11 UNL     1       7.114  -0.548  -0.493  1.00  0.00           H  
HETATM   39  H12 UNL     1       0.389   0.552  -0.142  1.00  0.00           H  
HETATM   40  H13 UNL     1       1.478  -0.083   1.102  1.00  0.00           H  
HETATM   41  H14 UNL     1       0.265  -2.152   1.318  1.00  0.00           H  
HETATM   42  H15 UNL     1      -2.770  -0.735   2.575  1.00  0.00           H  
HETATM   43  H16 UNL     1      -1.243   1.969   0.896  1.00  0.00           H  
HETATM   44  H17 UNL     1      -6.593   3.820  -1.211  1.00  0.00           H  
HETATM   45  H18 UNL     1      -4.904   3.845  -1.870  1.00  0.00           H  
HETATM   46  H19 UNL     1      -7.074  -0.744  -0.193  1.00  0.00           H  
HETATM   47  H20 UNL     1      -3.385  -1.918   0.161  1.00  0.00           H  
HETATM   48  H21 UNL     1      -1.511  -3.545   1.281  1.00  0.00           H  
HETATM   49  H22 UNL     1      -1.418  -1.128  -1.005  1.00  0.00           H  
HETATM   50  H23 UNL     1      -1.876  -3.446  -0.907  1.00  0.00           H  
CONECT    1    2   28   29   30
CONECT    2    3   10
CONECT    3    4   31   32
CONECT    4    5   33   34
CONECT    5    6    7   35
CONECT    6   36   37
CONECT    7    8    8    9
CONECT    9   38
CONECT   10   11   39   40
CONECT   11   12   26   41
CONECT   12   13
CONECT   13   14   24   42
CONECT   14   15   23
CONECT   15   16   16   43
CONECT   16   17
CONECT   17   18   18   23
CONECT   18   19   20
CONECT   19   44   45
CONECT   20   21   21
CONECT   21   22   46
CONECT   22   23   23
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   27   49
CONECT   27   50
END

HMDB0001185
     RDKit          3D
S-Adenosylmethionine
 50 52  0  0  0  0  0  0  0  0999 V2000
    2.6869   -2.5346   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008   -1.1102   -0.9998 S   0  0  0  0  0  3  0  0  0  0  0  0
    3.0086    0.1090   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8589    0.3869   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    1.4106   -0.5465 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3921    2.6894   -0.9557 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9607    0.9208   -1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    1.5830   -2.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107   -0.2870   -1.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157   -0.3918    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.2882    0.8305 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9212   -0.6015    1.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2654   -0.6667    1.5816 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8137    0.4888    0.9063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394    1.6763    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    2.4616   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    1.7747   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4606    2.0885   -0.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6583    3.3602   -1.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4694    1.2038   -0.7568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2957   -0.0006   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1223   -0.3081    0.3627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0681    0.5260    0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692   -1.8767    0.7391 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2961   -3.0023    1.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2290   -1.7926   -0.1674 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9925   -3.1185   -0.5485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -2.7014   -1.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -2.4071    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883   -3.4642   -0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    1.0465   -1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683   -0.2976   -2.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.8116    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504   -0.5467    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609    1.5769    0.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146    3.3432   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    3.0494   -0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1137   -0.5476   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890    0.5524   -0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4784   -0.0832    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -2.1521    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7705   -0.7348    2.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2430    1.9695    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5929    3.8204   -1.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9045    3.8448   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -0.7443   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3849   -1.9177    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -3.5448    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175   -1.1281   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -3.4457   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 11  1  0
 23 14  1  0
 23 17  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  1
  6 36  1  0
  6 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  1
 13 42  1  1
 15 43  1  0
 19 44  1  0
 19 45  1  0
 21 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  6
 27 50  1  0
M  CHG  1   2   1
M  END

Synonyms

Value	Source
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt	ChEBI
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium	ChEBI
Acylcarnitine	ChEBI
AdoMet	ChEBI
S-(5'-Deoxyadenosin-5'-yl)-L-methionine	ChEBI
SAM	ChEBI
SAMe	ChEBI
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine, inner salt	Generator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium	Generator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphonium	Generator
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphonium	Generator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium	Generator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphonium	Generator
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine	HMDB
2-S-Adenosyl-L-methionine	HMDB
5'-Deoxyadenosine-5'-L-methionine disulfate ditosylate	HMDB
5'-Deoxyadenosine-5'-L-methionine disulphate ditosylate	HMDB
Active methionine	HMDB
Ademetionine	HMDB
Adenosylmethionine	HMDB
Donamet	HMDB
L-S-Adenosylmethionine	HMDB
S-(5'-Adenosyl)-L-methionine	HMDB
S-Adenosyl methionine	HMDB
S-Adenosyl-L-methionine	HMDB
S-Adenosyl-L-methionine disulfate tosylate	HMDB
S-Adenosyl-L-methionine disulphate tosylate	HMDB
S-Adenosyl-methionine	HMDB
ASTA medica brand OF ademetionine tosilate disulfate	HMDB
S Adenosylmethionine sulfate tosylate	HMDB
S-Adenosylmethionine sulfate tosylate	HMDB
Sulfate tosylate, S-adenosylmethionine	HMDB
Ademetionine europharma brand	HMDB
Amet, S	HMDB
Europharma brand OF ademetionine	HMDB
Gumbaral	HMDB
Knoll brand OF brand OF ademetionine tosilate disulfate	HMDB
S Adenosylmethionine	HMDB
S Amet	HMDB
Samyr	HMDB
Tosylate, S-adenosylmethionine sulfate	HMDB
S Adenosyl L methionine	HMDB
SAM-e	HMDB

Molecular Formula

C₁₅H₂₃N₆O₅S

Average Mass

399.445

Monoisotopic Mass

399.145063566

IUPAC Name

[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

Traditional Name

SAMe

CAS Registry Number

29908-03-0

SMILES

C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N

InChI Identifier

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1

InChI Key

MEFKEPWMEQBLKI-AIRLBKTGSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

5'-deoxyribonucleosides

Sub Class

5'-deoxy-5'-thionucleosides

Direct Parent

5'-deoxy-5'-thionucleosides

Alternative Parents

Substituents

5'-deoxy-5'-thionucleoside
Methionine or derivatives
N-glycosyl compound
Glycosyl compound
Pentose monosaccharide
6-aminopurine
Alpha-amino acid
L-alpha-amino acid
Alpha-amino acid or derivatives
Imidazopyrimidine
Purine
Aminopyrimidine
Hydroxy fatty acid
Thia fatty acid
N-substituted imidazole
Fatty acyl
Monosaccharide
Imidolactam
Pyrimidine
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Amino acid or derivatives
1,2-diol
Amino acid
Secondary alcohol
Oxacycle
Azacycle
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxide
Organopnictogen compound
Alcohol
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organosulfur compound
Organooxygen compound
Primary aliphatic amine
Amine
Organonitrogen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic cation (CHEBI:59789 )
sulfonium compound (CHEBI:59789 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	1.19 g/L	ALOGPS
logP	-2	ALOGPS
logP	-5.3	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	1.7	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	182.63 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	96.23 m³·mol⁻¹	ChemAxon
Polarizability	40.37 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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	splash10-0a5c-5965000000-324e4a3cbf936132bcf1	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-00ea-7958582000-3dd40cf273f182ee53dd	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0002-0019000000-6dfa0dc65a9863755c2a	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0udj-0293000000-57cc9d4430592060d41d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0udr-1940000000-ed4985bea80649d27efe	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-000b-8920000000-8f05e9898f0d26ddf3f8	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-000e-9400000000-e5c5617045d9915e8e46	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT , positive	splash10-0udi-0090000000-93017671648813ece8a5	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0914000000-95030ceaf1c187dcf656	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-c3fae8b7a68475b614a4	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-2900000000-44078fd7eaeafcc5bba8	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-1927000000-02f9d1735282c46e7318	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-1900000000-aa88bbdd6c68c8e33363	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0bti-7900000000-003aba988a5c7e2f6534	2021-09-24	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

Biological Properties

Cellular Locations

Endoplasmic reticulum
Mitochondria
Nucleus

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Epidermis
Eye Lens
Feces
Fibroblasts
Intestine
Kidney
Neuron
Ovary
Placenta
Prostate
Skeletal Muscle
Testis
Urine

Tissue Locations

Epidermis
Eye Lens
Fibroblasts
Intestine
Kidney
Neuron
Ovary
Placenta
Prostate
Skeletal Muscle
Testis

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191754	Phosphatidylethanolamine N-methyltransferase	Unknown	Q9UBM1	Homo sapiens
MMDBp0191774	Acetylserotonin O-methyltransferase	Unknown	P46597	Homo sapiens
MMDBp0191831	Methionine synthase	Unknown	Q99707	Homo sapiens
MMDBp0191942	Catechol O-methyltransferase	Unknown	P21964	Homo sapiens
MMDBp0192069	Histone-lysine N-methyltransferase, H3 lysine-79 specific	Unknown	Q8TEK3	Homo sapiens
MMDBp0192070	Glycine N-methyltransferase	Unknown	Q14749	Homo sapiens
MMDBp0192071	Histone-lysine N-methyltransferase SETD7	Unknown	Q8WTS6	Homo sapiens
MMDBp0192072	S-adenosylmethionine synthase isoform type-2	Unknown	P31153	Homo sapiens
MMDBp0192073	Phenylethanolamine N-methyltransferase	Unknown	P11086	Homo sapiens
MMDBp0192074	Diphthine synthase	Unknown	Q9H2P9	Homo sapiens
MMDBp0192075	Arsenite methyltransferase	Unknown	Q9HBK9	Homo sapiens
MMDBp0192076	Mitochondrial tRNA-specific 2-thiouridylase 1	Enzyme	O75648	Homo sapiens
MMDBp0192077	Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific	Unknown	Q96L73	Homo sapiens
MMDBp0192078	Histone-lysine N-methyltransferase SETDB1	Unknown	Q15047	Homo sapiens
MMDBp0192079	Protein-L-isoaspartate(D-aspartate) O-methyltransferase	Unknown	P22061	Homo sapiens
MMDBp0192080	Protein-S-isoprenylcysteine O-methyltransferase	Unknown	O60725	Homo sapiens
MMDBp0192081	Indolethylamine N-methyltransferase	Unknown	O95050	Homo sapiens
MMDBp0192082	DNA (cytosine-5)-methyltransferase 3A	Unknown	Q9Y6K1	Homo sapiens
MMDBp0192083	Hexaprenyldihydroxybenzoate methyltransferase, mitochondrial	Unknown	Q9NZJ6	Homo sapiens
MMDBp0192084	S-adenosylmethionine synthase isoform type-1	Unknown	Q00266	Homo sapiens
MMDBp0192085	Histone-lysine N-methyltransferase EHMT2	Unknown	Q96KQ7	Homo sapiens
MMDBp0192086	S-adenosylmethionine decarboxylase proenzyme	Unknown	P17707	Homo sapiens
MMDBp0192087	Methionine synthase reductase	Unknown	Q9UBK8	Homo sapiens
MMDBp0192088	Histone-lysine N-methyltransferase SUV39H1	Unknown	O43463	Homo sapiens
MMDBp0192089	Nicotinamide N-methyltransferase	Unknown	P40261	Homo sapiens
MMDBp0192090	Histone-lysine N-methyltransferase SUV39H2	Unknown	Q9H5I1	Homo sapiens
MMDBp0192091	Histone-lysine N-methyltransferase EHMT1	Unknown	Q9H9B1	Homo sapiens
MMDBp0192092	Guanidinoacetate N-methyltransferase	Unknown	Q14353	Homo sapiens
MMDBp0192093	Histamine N-methyltransferase	Unknown	P50135	Homo sapiens
MMDBp0192094	Thiopurine S-methyltransferase	Unknown	P51580	Homo sapiens
MMDBp0192095	N6-adenosine-methyltransferase 70 kDa subunit	Unknown	Q86U44	Homo sapiens
MMDBp0192301	Putative adenosylhomocysteinase 3	Unknown	Q96HN2	Homo sapiens
MMDBp0192302	Adenosylhomocysteinase	Unknown	P23526	Homo sapiens
MMDBp0192303	Putative adenosylhomocysteinase 2	Unknown	O43865	Homo sapiens
MMDBp0192399	Cystathionine beta-synthase	Unknown	P35520	Homo sapiens
MMDBp0193195	Lipoyl synthase, mitochondrial	Unknown	O43766	Homo sapiens
MMDBp0193224	Protein arginine N-methyltransferase 5	Unknown	O14744	Homo sapiens
MMDBp0193230	Histone-lysine N-methyltransferase SETD1A	Unknown	O15047	Homo sapiens
MMDBp0193299	rRNA 2'-O-methyltransferase fibrillarin	Unknown	P22087	Homo sapiens
MMDBp0193306	PR domain zinc finger protein 2	Unknown	Q13029	Homo sapiens
MMDBp0193360	Histone-lysine N-methyltransferase MLL	Unknown	Q03164	Homo sapiens
MMDBp0193383	Molybdenum cofactor biosynthesis protein 1	Unknown	Q9NZB8	Homo sapiens
MMDBp0193472	DNA (cytosine-5)-methyltransferase 3B	Unknown	Q9UBC3	Homo sapiens
MMDBp0193780	tRNA (cytosine(38)-C(5))-methyltransferase	Unknown	O14717	Homo sapiens
MMDBp0193817	N-lysine methyltransferase SETD8	Unknown	Q9NQR1	Homo sapiens
MMDBp0193857	Histone-lysine N-methyltransferase MLL3	Unknown	Q8NEZ4	Homo sapiens
MMDBp0193947	Methionine adenosyltransferase 2 subunit beta	Unknown	Q9NZL9	Homo sapiens
MMDBp0194016	DNA (cytosine-5)-methyltransferase 1	Unknown	P26358	Homo sapiens
MMDBp0194017	Histone-lysine N-methyltransferase SETDB2	Unknown	Q96T68	Homo sapiens
MMDBp0194018	S-adenosylmethionine mitochondrial carrier protein	Enzyme	Q70HW3	Homo sapiens
MMDBp0194054	tRNA (cytosine(34)-C(5))-methyltransferase	Unknown	Q08J23	Homo sapiens
MMDBp0194193	2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial	Unknown	Q5HYK3	Homo sapiens
MMDBp0195067	tRNA wybutosine-synthesizing protein 1 homolog	Unknown	Q9NV66	Homo sapiens
MMDBp0195068	tRNA wybutosine-synthesizing protein 1 homolog B	Unknown	Q6NUM6	Homo sapiens
MMDBp0195433	Radical S-adenosyl methionine domain-containing protein 2	Unknown	Q8WXG1	Homo sapiens
MMDBp0195759	Histone-lysine N-methyltransferase ASH1L	Unknown	Q9NR48	Homo sapiens
MMDBp0195760	N-acetylserotonin O-methyltransferase-like protein	Unknown	O95671	Homo sapiens
MMDBp0195761	Histone-arginine methyltransferase CARM1	Unknown	Q86X55	Homo sapiens
MMDBp0195762	CDK5 regulatory subunit-associated protein 1-like 1	Unknown	Q5VV42	Homo sapiens
MMDBp0195763	CDK5 regulatory subunit-associated protein 1	Unknown	Q96SZ6	Homo sapiens
MMDBp0195764	Elongator complex protein 3	Unknown	Q9H9T3	Homo sapiens
MMDBp0195765	Histone-lysine N-methyltransferase EZH2	Unknown	Q15910	Homo sapiens
MMDBp0195766	rRNA/tRNA 2'-O-methyltransferase fibrillarin-like protein 1	Unknown	A6NHQ2	Homo sapiens
MMDBp0195767	Leucine carboxyl methyltransferase 2	Unknown	O60294	Homo sapiens
MMDBp0195768	mRNA cap guanine-N7 methyltransferase	Unknown	O43148	Homo sapiens
MMDBp0195769	Probable S-adenosyl-L-methionine-dependent methyltransferase METT5D1	Unknown	A6NJ78	Homo sapiens
MMDBp0195770	7SK snRNA methylphosphate capping enzyme	Unknown	Q7L2J0	Homo sapiens
MMDBp0195771	Histone-lysine N-methyltransferase MLL2	Unknown	O14686	Homo sapiens
MMDBp0195772	Histone-lysine N-methyltransferase MLL4	Unknown	Q9UMN6	Homo sapiens
MMDBp0195773	Histone-lysine N-methyltransferase MLL5	Unknown	Q8IZD2	Homo sapiens
MMDBp0195774	Histone-lysine N-methyltransferase NSD2	Unknown	O96028	Homo sapiens
MMDBp0195775	Histone-lysine N-methyltransferase NSD3	Unknown	Q9BZ95	Homo sapiens
MMDBp0195776	Putative methyltransferase NSUN5C	Unknown	Q63ZY6	Homo sapiens
MMDBp0195777	Putative methyltransferase NSUN3	Unknown	Q9H649	Homo sapiens
MMDBp0195778	Putative methyltransferase NSUN4	Unknown	Q96CB9	Homo sapiens
MMDBp0195779	Putative methyltransferase NSUN5	Unknown	Q96P11	Homo sapiens
MMDBp0195780	Putative methyltransferase NSUN6	Unknown	Q8TEA1	Homo sapiens
MMDBp0195781	Putative methyltransferase NSUN7	Unknown	Q8NE18	Homo sapiens
MMDBp0195782	Putative tRNA (cytidine(32)/guanosine(34)-2'-O)-methyltransferase	Unknown	Q9UET6	Homo sapiens
MMDBp0195783	Putative ribosomal RNA methyltransferase 2	Unknown	Q9UI43	Homo sapiens
MMDBp0195784	pre-rRNA processing protein FTSJ3	Unknown	Q8IY81	Homo sapiens
MMDBp0195785	Radical S-adenosyl methionine domain-containing protein 1, mitochondrial	Unknown	Q9HA92	Homo sapiens
MMDBp0195786	Histone-lysine N-methyltransferase SETD1B	Unknown	Q9UPS6	Homo sapiens
MMDBp0195787	Histone-lysine N-methyltransferase SETD2	Unknown	Q9BYW2	Homo sapiens
MMDBp0195788	Histone-lysine N-methyltransferase SETMAR	Unknown	Q53H47	Homo sapiens
MMDBp0195789	Histone-lysine N-methyltransferase SMYD3	Unknown	Q9H7B4	Homo sapiens
MMDBp0195790	Histone-lysine N-methyltransferase SUV420H1	Unknown	Q4FZB7	Homo sapiens
MMDBp0195791	Histone-lysine N-methyltransferase SUV420H2	Unknown	Q86Y97	Homo sapiens
MMDBp0195792	Probable methyltransferase TARBP1	Unknown	Q13395	Homo sapiens
MMDBp0195793	Dimethyladenosine transferase 1, mitochondrial	Unknown	Q8WVM0	Homo sapiens
MMDBp0195794	Dimethyladenosine transferase 2, mitochondrial	Unknown	Q9H5Q4	Homo sapiens
MMDBp0195795	tRNA guanosine-2'-O-methyltransferase TRM11 homolog	Unknown	Q7Z4G4	Homo sapiens
MMDBp0195796	tRNA:m(4)X modification enzyme TRM13 homolog	Unknown	Q9NUP7	Homo sapiens
MMDBp0195797	tRNA (guanine(26)-N(2))-dimethyltransferase	Unknown	Q9NXH9	Homo sapiens
MMDBp0195798	tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A	Unknown	Q96FX7	Homo sapiens
MMDBp0195799	tRNA (guanine-N(7)-)-methyltransferase	Unknown	Q9UBP6	Homo sapiens
MMDBp0195800	tRNA (adenine(58)-N(1))-methyltransferase, mitochondrial	Unknown	Q9BVS5	Homo sapiens
MMDBp0195801	tRNA (guanine(37)-N1)-methyltransferase	Unknown	Q32P41	Homo sapiens
MMDBp0195802	tRNA wybutosine-synthesizing protein 2 homolog	Unknown	Q53H54	Homo sapiens
MMDBp0195803	tRNA wybutosine-synthesizing protein 3 homolog	Unknown	Q6IPR3	Homo sapiens
MMDBp0195869	Probable S-adenosyl-L-methionine-dependent methyltransferase METT5D2	Unknown	P0C7V9	Homo sapiens
MMDBp0195914	Transmembrane O-methyltransferase	Enzyme	Q8WZ04	Homo sapiens
MMDBp0196146	DNA (cytosine-5)-methyltransferase 3-like	Enzyme	Q9UJW3	Homo sapiens
MMDBp0196147	Histone-lysine N-methyltransferase EZH1	Enzyme	Q92800	Homo sapiens
MMDBp0196260	Leucine carboxyl methyltransferase 1	Enzyme	Q9UIC8	Homo sapiens
MMDBp0196289	tRNA (uracil(54)-C(5))-methyltransferase homolog	Enzyme	Q96GJ1	Homo sapiens
MMDBp0196687	Alkylated DNA repair protein alkB homolog 8	Unknown	Q96BT7
MMDBp0196689	Protein arginine N-methyltransferase 1	Unknown	Q99873
MMDBp0196690	Protein arginine N-methyltransferase 2	Unknown	P55345
MMDBp0196691	Protein arginine N-methyltransferase 6	Unknown	Q96LA8
MMDBp0196692	Protein arginine N-methyltransferase 7	Unknown	Q9NVM4
MMDBp0196722	Calmodulin-lysine N-methyltransferase	Unknown	Q7Z624
MMDBp0196782	Probable dimethyladenosine transferase	Unknown	Q9UNQ2
MMDBp0196837	HemK methyltransferase family member 1	Unknown	Q9Y5R4
MMDBp0196838	Small RNA 2'-O-methyltransferase	Unknown	Q5T8I9
MMDBp0196881	Methyltransferase-like protein 2B	Unknown	Q6P1Q9
MMDBp0196882	Methyltransferase-like protein 6	Unknown	Q8TCB7
MMDBp0196896	Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1	Unknown	Q8N1G2
MMDBp0196911	Ribosomal RNA small subunit methyltransferase NEP1	Unknown	Q92979
MMDBp0196915	N-terminal Xaa-Pro-Lys N-methyltransferase 1	Unknown	Q9BV86
MMDBp0196916	Alpha N-terminal protein methyltransferase 1B	Unknown	Q5VVY1
MMDBp0196931	Putative histone-lysine N-methyltransferase PRDM6	Unknown	Q9NQX0
MMDBp0196932	Probable histone-lysine N-methyltransferase PRDM7	Unknown	Q9NQW5
MMDBp0196933	Histone-lysine N-methyltransferase PRDM9	Unknown	Q9NQV7
MMDBp0196966	Histone-lysine N-methyltransferase setd3	Unknown	Q86TU7
MMDBp0196977	N-lysine methyltransferase SMYD2	Unknown	Q9NRG4
MMDBp0196990	Trimethylguanosine synthase	Unknown	Q96RS0
MMDBp0196997	Probable tRNA (uracil-O(2)-)-methyltransferase	Unknown	Q8IYL2
MMDBp0197020	Uncharacterized methyltransferase WBSCR22	Unknown	O43709

Human Pathways

Pathways

Name	SMPDB/PathBank
Arsenate Detoxification
1-Methylhistidine Metabolism

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000049	3,4-Dihydroxybenzeneacetic acid	S-Adenosylhomocysteine	catechol-O-methyltransferase	VMH	1847521
MMDBr0000206	5-Hydroxyindoleacetic acid	5-Methoxyindoleacetate	acetylserotonin O-methyltransferase	VMH	7989373 8397829 8574683
MMDBr0000207	S-Adenosylmethionine	S-Adenosylhomocysteine	acetylserotonin O-methyltransferase	VMH	8397829
MMDBr0000222	S-Adenosylmethionine	S-Adenosylmethioninamine	Not Available	VMH; KEGG	2460457
MMDBr0000520	2-Decaprenyl-5-Hydroxy-6-Methoxy-3-Methyl-1,4-Benzoquinone	S-Adenosylhomocysteine	coenzyme Q3 methyltransferase	VMH	10777520 11051212 1965190 7380842
MMDBr0000521	2-Decaprenyl-6-methoxy-1,4-benzoquinone	2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone	Not Available	VMH	10777520 1965190 7380842
MMDBr0000673	3,4-dihydroxy-5-all-trans-decaprenylbenzoate	3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate	coenzyme Q3 methyltransferase	VMH	10777520 1965190 7380842
MMDBr0000812	S-Adenosylmethionine	3-Methoxytyramine	catechol-O-methyltransferase	VMH; KEGG	1847521
MMDBr0001263	S-Adenosylmethionine	S-Adenosylhomocysteine	guanidinoacetate N-methyltransferase	VMH	2001229
MMDBr0001374	S-Adenosylmethionine	S-Adenosylhomocysteine	glycine N-methyltransferase	VMH; KEGG	30371894
MMDBr0001644	L-Methionine	S-Adenosylmethionine	Not Available	VMH; KEGG	30371894
MMDBr0001768	S-Adenosylmethionine	1-Methylnicotinamide	nicotinamide N-methyltransferase	VMH; KEGG	30371894
MMDBr0001769	S-Adenosylmethionine	Epinephrine	phenylethanolamine N-methyltransferase	VMH	30371894
MMDBr0002087	S-Adenosylmethionine	S-Adenosylhomocysteine	catechol-O-methyltransferase	VMH; KEGG	30371894
MMDBr0002088	Epinephrine	S-Adenosylhomocysteine	catechol-O-methyltransferase domain containing 1	VMH	7897657
MMDBr0002089	S-Adenosylmethionine	S-Adenosylhomocysteine	histamine N-methyltransferase	VMH; KEGG	30371894
MMDBr0002169	S-Adenosylmethionine	S-Adenosylhomocysteine	indolethylamine N-methyltransferase	VMH	30371894
MMDBr0002570	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0002717	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0002718	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0004032	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11559542 9380738
MMDBr0004033	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11559542 9380738
MMDBr0004034	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11559542 9380738
MMDBr0004035	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0004036	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11559542 9380738
MMDBr0004037	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11559542 9380738
MMDBr0004126	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	10556560 8891913
MMDBr0004128	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	10556560 8891913
MMDBr0004129	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	10556560 8891913
MMDBr0004175	L-Dopa	S-Adenosylhomocysteine	Not Available	VMH	12075857
MMDBr0004176	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	10552930 9813302
MMDBr0004177	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	4436409
MMDBr0004183	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	8527006
MMDBr0004248	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11008878
MMDBr0004249	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0004278	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	1528988
MMDBr0004279	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	10377254
MMDBr0004303	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	11821057 7743212
MMDBr0005721	S-Adenosylmethionine	3-Methylhistidine	Not Available	VMH	30371894
MMDBr0006912	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006913	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006914	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006915	S-Adenosylmethionine	Acetaldehyde	Not Available	VMH	30371894
MMDBr0006916	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006957	2-Octaprenyl-6-hydroxyphenol	2-Octaprenyl-6-methoxyphenol	Not Available	VMH	30371894
MMDBr0006961	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006962	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006964	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0006998	2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0007182	S-Adenosylmethionine	5'-Deoxyadenosine	Not Available	VMH	30371894
MMDBr0007261	8-Amino-7-oxononanoate	S-Adenosyl-4-methylthio-2-oxobutanoate	Not Available	VMH	30371894
MMDBr0007279	S-Adenosylmethionine	Biotin	Not Available	VMH	30371894
MMDBr0007527	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0007664	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0007700	S-Adenosylmethionine	S-Adenosylmethioninamine	Not Available	VMH	30371894
MMDBr0008102	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0008520	2-Demethylmenaquinone 8	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0010265	S-Adenosylmethionine	5-Methyltetrahydrofolic acid	histamine N-methyltransferase	VMH	30371894
MMDBr0010289	S-Adenosylmethionine	S-Adenosylhomocysteine	indolethylamine N-methyltransferase	VMH; KEGG	30371894
MMDBr0010298	S-Adenosylhomocysteine	S-Adenosylmethionine	dimethylglycine dehydrogenase	VMH; KEGG	30371894
MMDBr0010403	S-Adenosylmethionine	S-Adenosylhomocysteine	indolethylamine N-methyltransferase	VMH; KEGG	30371894
MMDBr0010410	3,4-Dihydroxymandelic acid	Vanillylmandelic acid	catechol-O-methyltransferase	VMH; KEGG	30371894
MMDBr0010422	S-Adenosylmethionine	S-Adenosylhomocysteine	Not Available	VMH; KEGG	30371894
MMDBr0010441	S-Adenosylmethionine	S-Adenosylhomocysteine	coenzyme Q5, methyltransferase	VMH	30371894
MMDBr0010443	S-Adenosylmethionine	S-Adenosylhomocysteine	coenzyme Q3 methyltransferase	VMH	30371894
MMDBr0010564	S-Adenosylhomocysteine	S-Adenosylmethionine	Not Available	VMH; KEGG	30371894
MMDBr0010688	S-Adenosylhomocysteine	S-Adenosylmethionine	thiopurine S-methyltransferase	VMH; KEGG	30371894
MMDBr0010692	S-Adenosylmethionine	S-Adenosylhomocysteine	arsenite methyltransferase	VMH; KEGG	30371894
MMDBr0010699	S-Adenosylhomocysteine	S-Adenosylmethionine	diphthamide biosynthesis 5	VMH; KEGG	30371894
MMDBr0010911	2-Demethylmenaquinol 8	S-Adenosylhomocysteine	Not Available	VMH	30371894
MMDBr0010962	S-Adenosylmethionine	Acetic acid	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Diabetes mellitus type 2		Association	Human Urine	HMDB	6810706
Neurodegenerative disease		Association	Human Blood	HMDB	17200133

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	565	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; Sheep ; Cattle ; Turkey ; River trout ; Human subgingival plaque; Lion ; Chicken ; Rat ; Dog	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	510	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	202	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	134	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque; Pig	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	13	Human feces; Human ; Pig	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	6		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	12	Human feces; Goat ; Human	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Cyanobacteria	35	Human
Eukaryota/Fungi	Ascomycota	57	Human feces; Human saliva	Unknown
Archaea/Archaea	Euryarchaeota	36		Metabolic reconstruction
Viruses	Uroviricota	1
Bacteria	Deinococcus-thermus	5
Archaea/Archaea	Crenarchaeota	17		Metabolic reconstruction
Bacteria	Aquificae	4
Bacteria	Thermotogae	10
Bacteria	Chloroflexi	9
Bacteria	Nitrospirae	1
Bacteria	nah	3
Archaea	nah	1
Bacteria	Chlorobi	10
Viruses/Orthornavirae	Kitrinoviricota	25
Eukaryota/Fungi	Basidiomycota	2
Bacteria	Acidobacteria	1

Exposure Sources

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

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.264			uM	Adult (>18 years old)	Male	Adenosine kinase deficiency	HMDB	21963049
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.291			uM	Adolescent (13-18 years old)	Female	Adenosine kinase deficiency	HMDB	21963049
Human Blood	Detected and Quantified	0.496			uM	Adolescent (13-18 years old)	Female	Adenosine kinase deficiency	HMDB	21963049
Human Blood	Detected and Quantified	0.677			uM	Adult (>18 years old)	Male	Adenosine kinase deficiency	HMDB	21963049
Human Urine	Detected and Quantified	28.4	25.3	31.6	umol/mmol creatinine	Adult (>18 years old)	Both	Diabetes	HMDB	6810706
Human Blood	Detected and Quantified	0.11	0.087	0.17	uM	Adult (>18 years old)	Both	Neurodegenerative diseases	HMDB	17200133
Human Blood	Detected and Quantified		0.0550	0.116	uM	Not Specified	Not Specified	Normal	HMDB	21963049
Human Cerebrospinal fluid (csf)	Detected and Quantified		0.127	0.259	uM	Not Specified	Not Specified	Normal	HMDB	21963049
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.25	0.14	0.38	uM	Adult (>18 years old)	Both	Normal	HMDB	11017945
Human Epidermis	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Eye lens	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Ovary	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 Prostate	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 Testis	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0001185

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

S-Adenosyl_methionine

METLIN ID

6064

PubChem Compound

34756

PDB ID

Not Available

ChEBI ID

15414

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Solano AR, Sanchez ML, Podesta EJ, Turyn D, Dellacha JM: Membrane methylation in isolated rat testis interstitial cells unmasks functional luteinizing hormone receptors. Biochim Biophys Acta. 1987 Apr 2;928(1):107-13. doi: 10.1016/0167-4889(87)90091-7. [PubMed:3828399 ]
Scott JM, Weir DG: The methyl folate trap. A physiological response in man to prevent methyl group deficiency in kwashiorkor (methionine deficiency) and an explanation for folic-acid induced exacerbation of subacute combined degeneration in pernicious anaemia. Lancet. 1981 Aug 15;2(8242):337-40. doi: 10.1016/s0140-6736(81)90650-4. [PubMed:6115113 ]
Hoppel CL, Genuth SM: Urinary excretion of acetylcarnitine during human diabetic and fasting ketosis. Am J Physiol. 1982 Aug;243(2):E168-72. doi: 10.1152/ajpendo.1982.243.2.E168. [PubMed:6810706 ]
McFadden PN, Horwitz J, Clarke S: Protein carboxyl methyltransferase from cow eye lens. Biochem Biophys Res Commun. 1983 Jun 15;113(2):418-24. doi: 10.1016/0006-291x(83)91742-4. [PubMed:6870865 ]
Scalabrino G, Pigatto P, Ferioli ME, Modena D, Puerari M, Caru A: Levels of activity of the polyamine biosynthetic decarboxylases as indicators of degree of malignancy of human cutaneous epitheliomas. J Invest Dermatol. 1980 Mar;74(3):122-4. doi: 10.1111/1523-1747.ep12535012. [PubMed:7359002 ]
D'Erme M, Santoro R, Allegra P, Reale A, Marenzi S, Strom R, Caiafa P: Inhibition of CpG methylation in linker DNA by H1 histone. Biochim Biophys Acta. 1993 May 28;1173(2):209-16. doi: 10.1016/0167-4781(93)90183-e. [PubMed:8504169 ]
Chamberlin ME, Ubagai T, Mudd SH, Wilson WG, Leonard JV, Chou JY: Demyelination of the brain is associated with methionine adenosyltransferase I/III deficiency. J Clin Invest. 1996 Aug 15;98(4):1021-7. doi: 10.1172/JCI118862. [PubMed:8770875 ]
Kelm A, Shaw L, Schauer R, Reuter G: The biosynthesis of 8-O-methylated sialic acids in the starfish Asterias rubens--isolation and characterisation of S-adenosyl-L-methionine:sialate-8-O-methyltransferase. Eur J Biochem. 1998 Feb 1;251(3):874-84. doi: 10.1046/j.1432-1327.1998.2510874.x. [PubMed:9490063 ]
Struys EA, Jansen EE, de Meer K, Jakobs C: Determination of S-adenosylmethionine and S-adenosylhomocysteine in plasma and cerebrospinal fluid by stable-isotope dilution tandem mass spectrometry. Clin Chem. 2000 Oct;46(10):1650-6. [PubMed:11017945 ]
Rosen RT, Hiserodt RD, Fukuda EK, Ruiz RJ, Zhou Z, Lech J, Rosen SL, Hartman TG: The determination of metabolites of garlic preparations in breath and human plasma. Biofactors. 2000;13(1-4):241-9. doi: 10.1002/biof.5520130137. [PubMed:11237188 ]
Koeberl DD, Young SP, Gregersen NS, Vockley J, Smith WE, Benjamin DK Jr, An Y, Weavil SD, Chaing SH, Bali D, McDonald MT, Kishnani PS, Chen YT, Millington DS: Rare disorders of metabolism with elevated butyryl- and isobutyryl-carnitine detected by tandem mass spectrometry newborn screening. Pediatr Res. 2003 Aug;54(2):219-23. doi: 10.1203/01.PDR.0000074972.36356.89. Epub 2003 May 7. [PubMed:12736383 ]
Kaneoka H, Uesugi N, Moriguchi A, Hirose S, Takayanagi M, Yamaguchi S, Shigematsu Y, Yasuno T, Sasatomi Y, Saito T: Carnitine palmitoyltransferase II deficiency due to a novel gene variant in a patient with rhabdomyolysis and ARF. Am J Kidney Dis. 2005 Mar;45(3):596-602. doi: 10.1053/j.ajkd.2004.12.006. [PubMed:15754283 ]
Spiekerkoetter U, Tokunaga C, Wendel U, Mayatepek E, Ijlst L, Vaz FM, van Vlies N, Overmars H, Duran M, Wijburg FA, Wanders RJ, Strauss AW: Tissue carnitine homeostasis in very-long-chain acyl-CoA dehydrogenase-deficient mice. Pediatr Res. 2005 Jun;57(6):760-4. doi: 10.1203/01.PDR.0000157915.26049.47. Epub 2005 Mar 17. [PubMed:15774826 ]
Jones MG, Goodwin CS, Amjad S, Chalmers RA: Plasma and urinary carnitine and acylcarnitines in chronic fatigue syndrome. Clin Chim Acta. 2005 Oct;360(1-2):173-7. doi: 10.1016/j.cccn.2005.04.029. [PubMed:15967423 ]
Garibotto G, Sofia A, Valli A, Tarroni A, Di Martino M, Cappelli V, Aloisi F, Procopio V: Causes of hyperhomocysteinemia in patients with chronic kidney diseases. Semin Nephrol. 2006 Jan;26(1):3-7. doi: 10.1016/j.semnephrol.2005.06.002. [PubMed:16412817 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Showing metabocard for S-Adenosylmethionine (MMDBc0029582)

MOL for #<Metabolite:0x00007fdb069a83a8>

3D MOL for #<Metabolite:0x00007fdb069a83a8>

3D SDF for #<Metabolite:0x00007fdb069a83a8>

3D-SDF for #<Metabolite:0x00007fdb069a83a8>

PDB for #<Metabolite:0x00007fdb069a83a8>

3D PDB for #<Metabolite:0x00007fdb069a83a8>

SMILES for #<Metabolite:0x00007fdb069a83a8>

INCHI for #<Metabolite:0x00007fdb069a83a8>

Structure for #<Metabolite:0x00007fdb069a83a8>

3D Structure for #<Metabolite:0x00007fdb069a83a8>