Hmdb loader

Showing metabocard for S-Adenosylmethionine (HMDB0001185)

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enzymes (129) Show 129 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:46:19 UTC
HMDB IDHMDB0001185
Secondary Accession Numbers
  • HMDB0062709
  • HMDB01185
  • HMDB62709
Metabolite Identification
Common NameS-Adenosylmethionine
DescriptionS-Adenosylmethionine (CAS: 29908-03-0), also known as SAM or AdoMet, is a physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in the treatment of chronic liver disease (From Merck, 11th ed). S-Adenosylmethionine is a natural substance present in the cells of the body. It plays a crucial biochemical role by donating a one-carbon methyl group in a process called transmethylation. S-Adenosylmethionine, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine, and other molecules.
Structure
Data?1582752182
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001185 (S-Adenosylmethionine)

      
  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
Download

3D MOL for HMDB0001185 (S-Adenosylmethionine)

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
Download

3D SDF for HMDB0001185 (S-Adenosylmethionine)

      
  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>
HMDB0001185

> <DATABASE_NAME>
hmdb

> <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

$$$$
Download

3D-SDF for HMDB0001185 (S-Adenosylmethionine)

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
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PDB for HMDB0001185 (S-Adenosylmethionine)

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
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3D PDB for HMDB0001185 (S-Adenosylmethionine)

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
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SMILES for HMDB0001185 (S-Adenosylmethionine)

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
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INCHI for HMDB0001185 (S-Adenosylmethionine)

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
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner saltChEBI
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfoniumChEBI
AcylcarnitineChEBI
AdoMetChEBI
S-(5'-Deoxyadenosin-5'-yl)-L-methionineChEBI
SAMChEBI
SAMeChEBI
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine, inner saltGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-b-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfoniumGenerator
[1-(Adenin-9-yl)-1,5-dideoxy-β-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulphoniumGenerator
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosineHMDB
2-S-Adenosyl-L-methionineHMDB
5'-Deoxyadenosine-5'-L-methionine disulfate ditosylateHMDB
5'-Deoxyadenosine-5'-L-methionine disulphate ditosylateHMDB
Active methionineHMDB
AdemetionineHMDB
AdenosylmethionineHMDB
DonametHMDB
L-S-AdenosylmethionineHMDB
S-(5'-Adenosyl)-L-methionineHMDB
S-Adenosyl methionineHMDB
S-Adenosyl-L-methionineHMDB
S-Adenosyl-L-methionine disulfate tosylateHMDB
S-Adenosyl-L-methionine disulphate tosylateHMDB
S-Adenosyl-methionineHMDB
ASTA medica brand OF ademetionine tosilate disulfateHMDB
S Adenosylmethionine sulfate tosylateHMDB
S-Adenosylmethionine sulfate tosylateHMDB
Sulfate tosylate, S-adenosylmethionineHMDB
Ademetionine europharma brandHMDB
Amet, SHMDB
Europharma brand OF ademetionineHMDB
GumbaralHMDB
Knoll brand OF brand OF ademetionine tosilate disulfateHMDB
S AdenosylmethionineHMDB
S AmetHMDB
SamyrHMDB
Tosylate, S-adenosylmethionine sulfateHMDB
S Adenosyl L methionineHMDB
SAM-eHMDB
Chemical FormulaC15H23N6O5S
Average Molecular Weight399.445
Monoisotopic Molecular Weight399.145063566
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 NameSAMe
CAS Registry Number485-80-3
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 KeyMEFKEPWMEQBLKI-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.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub Class5'-deoxy-5'-thionucleosides
Direct Parent5'-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 FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point78 °CNot Available
Water Solubility1.19 g/lALOGPS
LogP-5.3ChemAxon
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.19 g/LALOGPS
logP-2ALOGPS
logP-5.3ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)1.7ChemAxon
pKa (Strongest Basic)9.41ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity96.23 m³·mol⁻¹ChemAxon
Polarizability40.37 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+189.66231661259
DarkChem[M+H]+189.66231661259
DarkChem[M-H]-185.11931661259
DarkChem[M-H]-185.11931661259
AllCCS[M+H]+188.72532859911
AllCCS[M-H]-182.67132859911
DeepCCS[M+H]+180.46330932474
DeepCCS[M-H]-178.06830932474
DeepCCS[M-2H]-211.45830932474
DeepCCS[M+Na]+186.57230932474
AllCCS[M+H]+188.732859911
AllCCS[M+H-H2O]+186.632859911
AllCCS[M+NH4]+190.732859911
AllCCS[M+Na]+191.332859911
AllCCS[M-H]-182.732859911
AllCCS[M+Na-2H]-182.632859911
AllCCS[M+HCOO]-182.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
S-AdenosylmethionineC[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N4082.0Standard polar33892256
S-AdenosylmethionineC[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3017.6Standard non polar33892256
S-AdenosylmethionineC[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N3532.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
S-Adenosylmethionine,1TMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3480.9Semi standard non polar33892256
S-Adenosylmethionine,1TMS,isomer #2C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3561.7Semi standard non polar33892256
S-Adenosylmethionine,1TMS,isomer #3C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3574.0Semi standard non polar33892256
S-Adenosylmethionine,1TMS,isomer #4C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3584.3Semi standard non polar33892256
S-Adenosylmethionine,1TMS,isomer #5C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3633.9Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3430.9Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3568.0Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #11C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3576.9Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #12C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3534.9Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3431.9Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3449.1Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #4C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3487.2Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #5C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3459.6Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3471.6Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #7C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3539.1Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #8C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3471.3Semi standard non polar33892256
S-Adenosylmethionine,2TMS,isomer #9C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3544.5Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3385.4Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #10C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3476.3Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3498.8Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3514.0Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3461.9Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #14C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3500.3Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #15C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3514.4Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #16C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3465.3Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #17C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3602.9Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #18C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3493.7Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #2C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3390.4Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #3C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3458.2Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #4C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3395.4Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3458.1Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3473.2Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3512.9Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3435.6Semi standard non polar33892256
S-Adenosylmethionine,3TMS,isomer #9C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3390.4Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3337.9Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3364.7Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4964.3Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3418.3Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3478.7Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4581.9Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3450.2Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3471.7Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4849.2Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3452.9Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3479.6Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5054.9Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3428.8Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3445.0Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4949.0Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3553.8Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3564.1Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4944.3Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3449.3Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3500.8Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4605.6Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3553.3Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3555.7Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4917.1Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3453.5Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3494.6Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4576.3Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3583.7Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3603.9Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4731.1Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3438.4Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3390.0Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5066.6Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3443.8Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3453.2Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4807.7Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3494.3Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3465.9Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O5054.1Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3425.3Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3430.8Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4811.9Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3442.4Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3447.3Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4778.1Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3498.4Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3458.5Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C5037.3Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3427.6Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3425.3Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4791.1Standard polar33892256
S-Adenosylmethionine,4TMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3580.6Semi standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3535.4Standard non polar33892256
S-Adenosylmethionine,4TMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4952.8Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3425.8Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3459.6Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4481.7Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3432.4Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3475.1Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4272.4Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #11C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3567.5Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #11C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3582.0Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #11C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4381.2Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3566.2Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3575.7Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4353.5Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #2C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3483.6Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #2C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3451.8Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #2C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4821.7Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #3C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3427.1Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #3C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3395.8Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #3C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4560.2Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3571.5Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3541.0Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4590.1Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #5C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3412.7Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #5C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3458.3Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #5C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4231.6Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #6C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3569.9Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #6C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3533.9Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #6C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4563.5Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #7C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3414.8Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #7C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3456.5Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #7C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4199.8Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #8C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3584.3Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #8C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3560.4Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #8C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4380.1Standard polar33892256
S-Adenosylmethionine,5TMS,isomer #9C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3529.2Semi standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #9C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3557.8Standard non polar33892256
S-Adenosylmethionine,5TMS,isomer #9C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4600.0Standard polar33892256
S-Adenosylmethionine,6TMS,isomer #1C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3569.2Semi standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #1C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3533.1Standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #1C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4325.1Standard polar33892256
S-Adenosylmethionine,6TMS,isomer #2C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3432.9Semi standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #2C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3433.1Standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #2C[S+](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3939.8Standard polar33892256
S-Adenosylmethionine,6TMS,isomer #3C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3592.5Semi standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #3C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O3533.5Standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #3C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O4053.5Standard polar33892256
S-Adenosylmethionine,6TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3591.3Semi standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C3529.0Standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C4022.0Standard polar33892256
S-Adenosylmethionine,6TMS,isomer #5C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3559.3Semi standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #5C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C3546.4Standard non polar33892256
S-Adenosylmethionine,6TMS,isomer #5C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4067.1Standard polar33892256
S-Adenosylmethionine,1TBDMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3743.0Semi standard non polar33892256
S-Adenosylmethionine,1TBDMS,isomer #2C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3796.7Semi standard non polar33892256
S-Adenosylmethionine,1TBDMS,isomer #3C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3801.7Semi standard non polar33892256
S-Adenosylmethionine,1TBDMS,isomer #4C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3813.0Semi standard non polar33892256
S-Adenosylmethionine,1TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3849.6Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3885.1Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3958.3Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #11C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4005.9Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #12C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3918.5Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3886.5Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O3870.6Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #4C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3883.8Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3904.7Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3911.3Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #7C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3930.7Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #8C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3909.4Semi standard non polar33892256
S-Adenosylmethionine,2TBDMS,isomer #9C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3923.2Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #1C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3992.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #10C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4017.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4025.1Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4128.5Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4022.9Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #14C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4024.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #15C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4128.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #16C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4021.2Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #17C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4156.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #18C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4034.8Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #2C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3966.4Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #3C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O3999.7Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #4C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3968.9Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C3993.2Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4002.5Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O4100.2Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O3983.2Semi standard non polar33892256
S-Adenosylmethionine,3TBDMS,isomer #9C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3989.9Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4065.5Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4025.8Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #1C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4983.6Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4095.5Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4192.5Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #10C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4613.8Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4130.5Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4157.1Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #11C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4850.2Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4219.1Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4109.2Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #12C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C5034.7Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4138.3Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4136.4Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #13C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4918.4Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4265.2Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4238.1Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #14C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4889.5Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4153.2Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4205.4Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #15C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4641.9Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4265.6Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4226.7Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #16C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4871.0Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4148.8Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4194.8Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #17C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4619.6Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4304.5Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4288.2Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #18C[S+](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4703.9Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4115.4Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4085.1Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #2C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C5035.7Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4100.2Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4161.8Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #3C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4817.2Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4208.2Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4127.7Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #4C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5031.5Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4106.4Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4141.9Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #5C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4829.1Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4096.1Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4150.8Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #6C[S+](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4797.7Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4211.8Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4115.0Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #7C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5015.9Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4104.0Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4131.0Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #8C[S+](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4811.5Standard polar33892256
S-Adenosylmethionine,4TBDMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4233.6Semi standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4228.3Standard non polar33892256
S-Adenosylmethionine,4TBDMS,isomer #9C[S+](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O4890.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethionine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a5c-5965000000-324e4a3cbf936132bcf12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethionine GC-MS (3 TMS) - 70eV, Positivesplash10-00ea-7958582000-3dd40cf273f182ee53dd2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - S-Adenosylmethionine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-QQ , positive-QTOFsplash10-0002-0019000000-6dfa0dc65a9863755c2a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-QQ , positive-QTOFsplash10-0udj-0293000000-57cc9d4430592060d41d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-QQ , positive-QTOFsplash10-0udr-1940000000-ed4985bea80649d27efe2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-QQ , positive-QTOFsplash10-000b-8920000000-8f05e9898f0d26ddf3f82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-QQ , positive-QTOFsplash10-000e-9400000000-e5c5617045d9915e8e462017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - S-Adenosylmethionine LC-ESI-IT , positive-QTOFsplash10-0udi-0090000000-93017671648813ece8a52017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 10V, Positive-QTOFsplash10-000i-0914000000-95030ceaf1c187dcf6562017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 20V, Positive-QTOFsplash10-000i-0900000000-c3fae8b7a68475b614a42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 40V, Positive-QTOFsplash10-000i-2900000000-44078fd7eaeafcc5bba82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 10V, Positive-QTOFsplash10-000i-1927000000-02f9d1735282c46e73182021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 20V, Positive-QTOFsplash10-000i-1900000000-aa88bbdd6c68c8e333632021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - S-Adenosylmethionine 40V, Positive-QTOFsplash10-0bti-7900000000-003aba988a5c7e2f65342021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Mitochondria
  • Nucleus
  • Endoplasmic reticulum
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Urine
Tissue Locations
  • Epidermis
  • Eye Lens
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Ovary
  • Placenta
  • Prostate
  • Skeletal Muscle
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0550-0.116 uMNot SpecifiedNot Specified
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.127-0.259 uMNot SpecifiedNot Specified
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.25 (0.14 - 0.38) uMAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.11 (0.087-0.17) uMAdult (>18 years old)BothNeurodegenerative diseases details
BloodDetected and Quantified0.496 uMAdolescent (13-18 years old)Female
Adenosine kinase deficiency		 details
BloodDetected and Quantified0.677 uMAdult (>18 years old)Male
Adenosine kinase deficiency		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.264 uMAdult (>18 years old)Male
Adenosine kinase deficiency		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.291 uMAdolescent (13-18 years old)Female
Adenosine kinase deficiency		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothEnthesitis-related arthritis details
UrineDetected and Quantified28.4 (25.3-31.6) umol/mmol creatinineAdult (>18 years old)Both
Diabetes		 details
Associated Disorders and Diseases
Disease References
Neurodegenerative disease
  1. Obeid R, Kostopoulos P, Knapp JP, Kasoha M, Becker G, Fassbender K, Herrmann W: Biomarkers of folate and vitamin B12 are related in blood and cerebrospinal fluid. Clin Chem. 2007 Feb;53(2):326-33. Epub 2007 Jan 2. [PubMed:17200133 ]
Adenosine kinase deficiency
  1. Bjursell MK, Blom HJ, Cayuela JA, Engvall ML, Lesko N, Balasubramaniam S, Brandberg G, Halldin M, Falkenberg M, Jakobs C, Smith D, Struys E, von Dobeln U, Gustafsson CM, Lundeberg J, Wedell A: Adenosine kinase deficiency disrupts the methionine cycle and causes hypermethioninemia, encephalopathy, and abnormal liver function. Am J Hum Genet. 2011 Oct 7;89(4):507-15. doi: 10.1016/j.ajhg.2011.09.004. Epub 2011 Sep 28. [PubMed:21963049 ]
Diabetes mellitus type 2
  1. Hoppel CL, Genuth SM: Urinary excretion of acetylcarnitine during human diabetic and fasting ketosis. Am J Physiol. 1982 Aug;243(2):E168-72. [PubMed:6810706 ]
Associated OMIM IDs
  • 614300 (Adenosine kinase deficiency)
  • 125853 (Diabetes mellitus type 2)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB031152
KNApSAcK IDC00007347
Chemspider ID21169292
KEGG Compound IDC00019
BioCyc IDS-ADENOSYLMETHIONINE
BiGG ID33530
Wikipedia LinkS-Adenosyl_methionine
METLIN ID6064
PubChem Compound34756
PDB IDNot Available
ChEBI ID15414
Food Biomarker OntologyNot Available
VMH IDAMET
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceLin, Jian-Ping; Tian, Jun; You, Jian-Feng; Jin, Zhi-Hua; Xu, Zhi-Nan; Cen, Pei-Lin. An effective strategy for the co-production of S-adenosyl-L-methionine and glutathione by fed-batch fermentation. Biochemical Engineering Journal (2004), 21(1), 19-25.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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. [PubMed:8770875 ]
  2. 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 ]
  3. Hoppel CL, Genuth SM: Urinary excretion of acetylcarnitine during human diabetic and fasting ketosis. Am J Physiol. 1982 Aug;243(2):E168-72. [PubMed:6810706 ]
  4. 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. Epub 2003 May 7. [PubMed:12736383 ]
  5. 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 ]
  6. 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. [PubMed:7359002 ]
  7. 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. [PubMed:15754283 ]
  8. 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. [PubMed:11237188 ]
  9. McFadden PN, Horwitz J, Clarke S: Protein carboxyl methyltransferase from cow eye lens. Biochem Biophys Res Commun. 1983 Jun 15;113(2):418-24. [PubMed:6870865 ]
  10. 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. [PubMed:16412817 ]
  11. 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. Epub 2005 Mar 17. [PubMed:15774826 ]
  12. 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. [PubMed:15967423 ]
  13. 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. [PubMed:9490063 ]
  14. 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. [PubMed:3828399 ]
  15. 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. [PubMed:8504169 ]
  16. 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. [PubMed:6115113 ]

Only showing the first 10 proteins. There are 129 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Phosphatidylethanolamine N-methyltransferase
General function:
Involved in N-methyltransferase activity
Specific function:
Catalyzes three sequential methylation reactions of phosphatidylethanolamine (PE) by AdoMet, thereby producing phosphatidylcholine (PC).
Gene Name:
PEMT
Uniprot ID:
Q9UBM1
Molecular weight:
23697.395
Reactions
S-Adenosylmethionine + phosphatidyl-N-methylethanolamine → S-Adenosylhomocysteine + phosphatidyl-N-dimethylethanolaminedetails
S-Adenosylmethionine + phosphatidyl-N-dimethylethanolamine → S-Adenosylhomocysteine + phosphatidylcholinedetails
S-Adenosylmethionine + Phosphatidylethanolamine → S-Adenosylhomocysteine + phosphatidyl-N-methylethanolaminedetails
S-Adenosylmethionine + Phosphatidyl-N-dimethylethanolamine → S-Adenosylhomocysteine + Phosphatidylcholinedetails
S-Adenosylmethionine + Phosphatidylethanolamine → S-Adenosylhomocysteine + Phosphatidyl-N-methylethanolaminedetails
Enzyme Details
2. Acetylserotonin O-methyltransferase
General function:
Involved in O-methyltransferase activity
Specific function:
Isoform 1 catalyzes the transfer of a methyl group onto N-acetylserotonin, producing melatonin (N-acetyl-5-methoxytryptamine). Isoform 2 and isoform 3 lack enzyme activity.
Gene Name:
ASMT
Uniprot ID:
P46597
Molecular weight:
41660.34
Reactions
S-Adenosylmethionine + N-Acetylserotonin → S-Adenosylhomocysteine + Melatonindetails
S-Adenosylmethionine + 5-Hydroxyindoleacetic acid → S-Adenosylhomocysteine + 5-Methoxyindoleacetatedetails
Enzyme Details
3. Methionine synthase
General function:
Involved in cobalamin binding
Specific function:
Catalyzes the transfer of a methyl group from methyl-cobalamin to homocysteine, yielding enzyme-bound cob(I)alamin and methionine. Subsequently, remethylates the cofactor using methyltetrahydrofolate (By similarity).
Gene Name:
MTR
Uniprot ID:
Q99707
Molecular weight:
140525.91
Enzyme Details
4. Catechol O-methyltransferase
General function:
Involved in magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
S-Adenosylmethionine + a catechol → S-Adenosylhomocysteine + a guaiacoldetails
S-Adenosylmethionine + Norepinephrine → S-Adenosylhomocysteine + Normetanephrinedetails
S-Adenosylmethionine + Epinephrine → S-Adenosylhomocysteine + Metanephrinedetails
S-Adenosylmethionine + 3,4-Dihydroxybenzeneacetic acid → S-Adenosylhomocysteine + Homovanillic aciddetails
S-Adenosylmethionine + Dopamine → S-Adenosylhomocysteine + 3-Methoxytyraminedetails
2-Hydroxyestrone + S-Adenosylmethionine → 2-Methoxyestrone + S-Adenosylhomocysteinedetails
2-Hydroxyestradiol + S-Adenosylmethionine → 2-Methoxyestradiol + S-Adenosylhomocysteinedetails
S-Adenosylmethionine + 3,4-Dihydroxyphenylglycol → S-Adenosylhomocysteine + Vanylglycoldetails
S-Adenosylmethionine + 3,4-Dihydroxymandelic acid → S-Adenosylhomocysteine + Vanillylmandelic aciddetails
Enzyme Details
5. Histone-lysine N-methyltransferase, H3 lysine-79 specific
General function:
Involved in DNA binding
Specific function:
Histone methyltransferase. Methylates 'Lys-79' of histone H3. Nucleosomes are preferred as substrate compared to free histones. Binds to DNA.
Gene Name:
DOT1L
Uniprot ID:
Q8TEK3
Molecular weight:
164854.41
Reactions
S-Adenosylmethionine + L-lysine-[histone] → S-Adenosylhomocysteine + N(6)-methyl-L-lysine-[histone]details
Protein lysine + S-Adenosylmethionine → Protein N6-methyl-L-lysine + S-Adenosylhomocysteinedetails
S-Adenosylmethionine + Protein N6-methyl-L-lysine → S-Adenosylhomocysteine + Protein N6,N6-dimethyl-L-lysinedetails
S-Adenosylmethionine + Protein N6,N6-dimethyl-L-lysine → S-Adenosylhomocysteine + Protein N6,N6,N6-trimethyl-L-lysinedetails
Enzyme Details
6. Glycine N-methyltransferase
General function:
Involved in folic acid binding
Specific function:
Catalyzes the methylation of glycine by using S-adenosylmethionine (AdoMet) to form N-methylglycine (sarcosine) with the concomitant production of S-adenosylhomocysteine (AdoHcy). Possible crucial role in the regulation of tissue concentration of AdoMet and of metabolism of methionine.
Gene Name:
GNMT
Uniprot ID:
Q14749
Molecular weight:
32742.0
Reactions
S-Adenosylmethionine + Glycine → S-Adenosylhomocysteine + Sarcosinedetails
Enzyme Details
7. Histone-lysine N-methyltransferase SETD7
General function:
Involved in histone-lysine N-methyltransferase activity
Specific function:
Histone methyltransferase that specifically monomethylates 'Lys-4' of histone H3. H3 'Lys-4' methylation represents a specific tag for epigenetic transcriptional activation. Plays a central role in the transcriptional activation of genes such as collagenase or insulin. Recruited by IPF1/PDX-1 to the insulin promoter, leading to activate transcription. Has also methyltransferase activity toward non-histone proteins such as p53/TP53, TAF10, and possibly TAF7 by recognizing and binding the [KR]-[STA]-K in substrate proteins. Monomethylates 'Lys-189' of TAF10, leading to increase the affinity of TAF10 for RNA polymerase II. Monomethylates 'Lys-372' of p53/TP53, stabilizing p53/TP53 and increasing p53/TP53-mediated transcriptional activation.
Gene Name:
SETD7
Uniprot ID:
Q8WTS6
Molecular weight:
40720.595
Reactions
S-Adenosylmethionine + L-lysine-[histone] → S-Adenosylhomocysteine + N(6)-methyl-L-lysine-[histone]details
Protein lysine + S-Adenosylmethionine → Protein N6-methyl-L-lysine + S-Adenosylhomocysteinedetails
S-Adenosylmethionine + Protein N6-methyl-L-lysine → S-Adenosylhomocysteine + Protein N6,N6-dimethyl-L-lysinedetails
S-Adenosylmethionine + Protein N6,N6-dimethyl-L-lysine → S-Adenosylhomocysteine + Protein N6,N6,N6-trimethyl-L-lysinedetails
Enzyme Details
8. S-adenosylmethionine synthase isoform type-2
General function:
Involved in methionine adenosyltransferase activity
Specific function:
Catalyzes the formation of S-adenosylmethionine from methionine and ATP.
Gene Name:
MAT2A
Uniprot ID:
P31153
Molecular weight:
43660.37
Reactions
Adenosine triphosphate + L-Methionine + Water → Phosphate + Pyrophosphate + S-Adenosylmethioninedetails
Phosphate + Pyrophosphate + S-Adenosylmethionine → Adenosine triphosphate + L-Methionine + Waterdetails
Enzyme Details
9. Phenylethanolamine N-methyltransferase
General function:
Involved in methyltransferase activity
Specific function:
Converts noradrenaline to adrenaline.
Gene Name:
PNMT
Uniprot ID:
P11086
Molecular weight:
30854.745
Reactions
S-Adenosylmethionine + 2-Hydroxyphenethylamine → S-Adenosylhomocysteine + N-Methylphenylethanolaminedetails
S-Adenosylmethionine + Norepinephrine → S-Adenosylhomocysteine + Epinephrinedetails
Enzyme Details
10. Diphthine synthase
General function:
Involved in methyltransferase activity
Specific function:
S-adenosyl-L-methionine-dependent methyltransferase that catalyzes the trimethylation of the amino group of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine. The three successive methylation reactions represent the second step of diphthamide biosynthesis (By similarity).
Gene Name:
DPH5
Uniprot ID:
Q9H2P9
Molecular weight:
31651.17
Reactions
S-Adenosylmethionine + 2-(3-Carboxy-3-aminopropyl)-L-histidine → S-Adenosylhomocysteine + 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidinedetails

Only showing the first 10 proteins. There are 129 proteins in total.

Show all enzymes and transporters