Search MNXref
 Feedback

S-methyl-L-ergothioneine

PropertiesImage
MNX_IDMNXM160935 Image of MNXM160935
referencechebi:76620
formulaC10H17N3O2S
global charge0
mol weight243.332
InChIKeyGVQNHIYBRMFCMS-QMMMGPOBSA-N
InChIInChI=1S/C10H17N3O2S/c1-13(2,3)8(9(14)15)5-7-6-11-10(12-7)16-4/h6,8H,5H2,1-4H3,(H-,11,12,14,15)/t8-/m0/s1
SMILESCSC1=NC=C(C[C@@H](C(=O)[O-])[N+](C)(C)C)N1
MNX internals
InChI (mnx)InChI=1/C10H17N3O2S/c1-13(2,3)8(9(14)15)5-7-6-11-10(12-7)16-4/h6,8H,5H2,1-4H3,(H-,11,12,14,15)/t8-/m0/s1 Image of MNXM160935
SMILES (mnx)[CH3:1][N+:13]([CH3:2])([CH3:3])[C@@H:8]([CH2:5][C:7]1=[CH:6][N:11]=[C:10]([S:16][CH3:4])[NH:12]1)[C:9](=[O:14])[O-:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76620
chebi:76620
GVQNHIYBRMFCMS-QMMMGPOBSA-N 		S-methyl-L-ergothioneine
(+)-L-S-methylergothioneine
(+)-L-methylergothioneine
(+)-S-methyl-L-ergothioneine
(+)-S-methylergothioneine
(2S)-3-(2-methylsulfanyl-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
(2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propanoate
(2S)-3-[2-(methylsulfanyl)-1H-imidazol-4-yl]-2-(trimethylammonio)propionate
7S-(+)-methylergothioneine
L-(+)-S-methylergothioneine
L-S-methylergothioneine
S-methylergothioneine

chebi:90131 		secondary/obsolete/fantasy identifier