**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(S)-S-adenosyl-L-methionine

Properties Image MNX_ID MNXM1363766 reference chebi:142094 formula C15H23N6O5S global charge 1 mol weight 399.453 InChIKey MEFKEPWMEQBLKI-FCKMPRQPSA-O InChI 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 SMILES C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/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)/t7-,8+,10+,11+,14+,27-/m0/s1 SMILES (mnx) [CH3:1][C@H:2]([CH2:3][CH2:4][C@H:5]([CH3:6])[C:7]([CH3:8])=[CH2:9])[CH2:10][C@@H:11]1[CH2:12][C@H:13]([N:18]2[N:19]=[N:20][N:21]3=[O:22]2[O:23]=[O-:24][O:25]=[O:26]3[SH2+:27])[C@@H:14]([CH3:15])[N:16]1[NH2:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 172 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:142094 chebi:142094 MEFKEPWMEQBLKI-FCKMPRQPSA-O	(S)-S-adenosyl-L-methionine (S)-S-adenosyl-L-methionine zwitterion (S,S)-AdoMet (S,S)-AdoMet zwitterion (S,S)-S-adenosyl-L-methionine zwitterion
seed.compound:cpd33804 seedM:cpd33804 MEFKEPWMEQBLKI-FCKMPRQPSA-O	(S)-S-adenosyl-L-methionine
CHEBI:33442 chebi:33442 MEFKEPWMEQBLKI-FCKMPRQPSA-O	(S)-S-adenosyl-L-methionine (S)-[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium (S,S)-AdoMet S-ADENOSYLMETHIONINE
sabiork.compound:1272 sabiorkM:1272 MEFKEPWMEQBLKI-FCKMPRQPSA-O	S-Adenosyl-L-methionine AdoMet S-Adenosylmethionine
seedM:M_cpd33804	secondary/obsolete/fantasy identifier