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glutathione S,S-dioxide

PropertiesImage
MNX_IDMNXM145853 Image of MNXM145853
referencechebi:85586
formulaC10H15N3O8S2
global charge-2
mol weight369.377
InChIKeyQUBUTNSZZFICHL-WDSKDSINSA-L
InChIInChI=1S/C10H17N3O8S2/c11-5(10(18)19)1-2-7(14)13-6(4-22-23(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/p-2/t5-,6-/m0/s1
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSS(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H17N3O8S2/c11-5(10(18)19)1-2-7(14)13-6(4-22-23(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1 Image of MNXM145853
SMILES (mnx)[CH2:1]([CH2:2][C:7](=[N:13][C@@H:6]([CH2:4][S:22][S:23]([OH:20])=[O:21])[C:9](=[N:12][CH2:3][C:8](=[O:15])[OH:16])[OH:17])[OH:14])[C@@H:5]([C:10](=[O:18])[OH:19])[NH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85586
chebi:85586
QUBUTNSZZFICHL-WDSKDSINSA-L 		glutathione S,S-dioxide
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(sulfinatosulfanyl)propan-2-yl]amino}-5-oxopentanoate
glutathione S-sulfinate(2-)

seed.compound:cpd32206
seedM:cpd32206
QUBUTNSZZFICHL-WDSKDSINSA-L 		GSSO2-
S-sulfinatoglutathione

kegg.compound:C21787
keggC:C21787
QUBUTNSZZFICHL-WDSKDSINSA-N 		S-Sulfinatoglutathione

metacyc.compound:CPD-17866
metacycM:CPD-17866
QUBUTNSZZFICHL-WDSKDSINSA-L 		S-sulfinatoglutathione
GSSO2-

CHEBI:85904
chebi:85904
QUBUTNSZZFICHL-WDSKDSINSA-N 		glutathione S-sulfinate
L-gamma-glutamyl-3-(sulfinosulfanyl)-L-alanylglycine
S-sulfinylglutathione
glutathione S-sulfinic acid

keggC:M_C21787
seedM:M_cpd32206 		secondary/obsolete/fantasy identifier