EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85586 - glutathione S-sulfinate(2−)

Default Structure
ChEBI IDCHEBI:85586
ChEBI Nameglutathione S-sulfinate(2−)
Stars
ASCII Nameglutathione S-sulfinate(2-)
DefinitionA peptide anion obtained by deprotonation of the carboxy and sulfinate groups and protonation of the amino group of glutathione S-sulfinate; major species at pH 7.3.
Last Modified18 August 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H15N3O8S2
Net Charge-2
Average Mass369.377
Monoisotopic Mass369.03115
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSS(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
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
InChIKeyQUBUTNSZZFICHL-WDSKDSINSA-L
ChEBI Ontology
Outgoing Relation(s)
glutathione S-sulfinate(2−) (CHEBI:85586) has functional parent glutathionate(1−) (CHEBI:57925)
glutathione S-sulfinate(2−) (CHEBI:85586) is a peptide anion (CHEBI:60334)
glutathione S-sulfinate(2−) (CHEBI:85586) is conjugate base of glutathione S-sulfinate (CHEBI:85904)
Incoming Relation(s)
glutathione S-sulfinate (CHEBI:85904) is conjugate acid of glutathione S-sulfinate(2−) (CHEBI:85586)
IUPAC Name 
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(sulfinatosulfanyl)propan-2-yl]amino}-5-oxopentanoate
UniProt Name  Source
glutathione S,S-dioxideUniProt
Manual XrefsDatabases
CPD-17866MetaCyc
Citations