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(S)-S-adenosyl-L-methionine

PropertiesImage
MNX_IDMNXM1363766 Image of MNXM1363766
referencechebi:142094
formulaC15H23N6O5S
global charge1
mol weight399.453
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-O
InChIInChI=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
SMILESC[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[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 Image of MNXM1363766
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)172
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

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