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gamma-Glutamyl-S-methylcysteinyl-beta-alanine

PropertiesImage
MNX_IDMNXM125853 Image of MNXM125853
referencechebi:183031
formulaC12H21N3O6S
global charge0
mol weight335.382
InChIKeyMSEXKIKRSMQHDG-UHFFFAOYSA-N
InChIInChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
SMILESCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7?,8? Image of MNXM125853
SMILES (mnx)[CH3:1][S:22][CH2:6][CH:8]([C:11](=[N:14][CH2:5][CH2:4][C:10](=[O:17])[OH:18])[OH:19])[N:15]=[C:9]([CH2:3][CH2:2][CH:7]([C:12](=[O:20])[OH:21])[NH2:13])[OH:16]
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:183031
chebi:183031
MSEXKIKRSMQHDG-UHFFFAOYSA-N 		gamma-Glutamyl-S-methylcysteinyl-beta-alanine
2-amino-5-[[1-(2-carboxyethylamino)-3-methylsulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
hmdb:HMDB0039504
MSEXKIKRSMQHDG-UHFFFAOYSA-N 		gamma-Glutamyl-S-methylcysteinyl-beta-alanine
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-(methylsulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoate
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-(methylsulphanyl)ethyl}-C-hydroxycarbonimidoyl)butanoate
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-(methylsulphanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-({1-[(2-carboxyethyl)carbamoyl]-2-(methylsulfanyl)ethyl}carbamoyl)butanoic acid
S-Methylhomoglutathione
g-Glutamyl-S-methylcysteinyl-b-alanine
gamma-glutamyl-S-methylcysteinyl-beta-alanine

hmdb:HMDB39504 		secondary/obsolete/fantasy identifier