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2-S-Glutathionyl acetate

PropertiesImage
MNX_IDMNXM5771 Image of MNXM5771
referencechebi:34302
formulaC12H19N3O8S
global charge0
mol weight365.364
InChIKeyWBINJBFJLWYSJZ-BQBZGAKWSA-N
InChIInChI=1S/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1
SMILESN[C@@H](CCC(=O)N[C@@H](CSCC(=O)O)C(=O)NCC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1 Image of MNXM5771
SMILES (mnx)[CH2:1]([CH2:2][C:8](=[N:15][C@@H:7]([CH2:4][S:24][CH2:5][C:10](=[O:19])[OH:20])[C:11](=[N:14][CH2:3][C:9](=[O:17])[OH:18])[OH:21])[OH:16])[C@@H:6]([C:12](=[O:22])[OH:23])[NH2:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34302
chebi:34302
kegg.compound:C14862
keggC:C14862
WBINJBFJLWYSJZ-BQBZGAKWSA-N 		2-S-Glutathionyl acetate
S-(Carboxymethyl)glutathione

sabiork.compound:22108
sabiorkM:22108
WBINJBFJLWYSJZ-BQBZGAKWSA-N 		2-S-Glutathionyl acetate
Glutathione-S-acetate
S-(Carboxymethyl)glutathione
S-Carboxymethyl-glutathione

seed.compound:cpd10559
seedM:cpd10559
WBINJBFJLWYSJZ-BQBZGAKWSA-L 		2-S-Glutathionyl acetate
S-(Carboxymethyl)glutathione
S-(acet-2-yl)-glutathione
glutathione-S-acetate
hmdb:HMDB0062198
WBINJBFJLWYSJZ-BQBZGAKWSA-N 		2-S-glutathionyl acetate
(2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(carboxymethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoate
(2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(carboxymethyl)sulphanyl]ethyl]-C-hydroxycarbonimidoyl}butanoate
(2S)-2-Amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(carboxymethyl)sulphanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(carboxymethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid
2-S-Glutathionyl acetic acid
S-(Carboxymethyl)glutathione

vmhM:M00676
vmhmetabolite:M00676
WBINJBFJLWYSJZ-BQBZGAKWSA-M 		2-S-glutathionyl acetate
(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(carboxymethyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

metacyc.compound:CPD0-2370
metacycM:CPD0-2370
WBINJBFJLWYSJZ-BQBZGAKWSA-L 		S-(acet-2-yl)-glutathione

hmdb:HMDB62198
keggC:M_C14862
seedM:M_cpd10559
vmhM:M_M00676 		secondary/obsolete/fantasy identifier