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(S)-S-adenosyl-L-methionine

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1364489

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

formula

C₁₅H₂₃N₆O₅S

charge

mass

399.446

reference

chebi:142094

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

[CH3:1][S@@+:27]([CH2:3][CH2:2][C@@H:7]([C:15](=[O:24])[O-:25])[NH2:16])[CH2:4][C@@H:8]1[C@@H:10]([OH:22])[C@@H:11]([OH:23])[C@H:14]([n:21]2[cH:6][n:20][c:9]3[c:12]([NH2:17])[n:18][cH:5][n:19][c:13]32)[O:26]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142094 chebi:142094	(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	(S)-S-adenosyl-L-methionine
CHEBI:33442 chebi:33442	(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	S-Adenosyl-L-methionine AdoMet S-Adenosylmethionine
seedM:M_cpd33804	secondary/obsolete/fantasy identifier