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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name glutathione S-sulfinate(2−) ChEBI ID CHEBI:85586 ChEBI ASCII Name glutathione S-sulfinate(2-) Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H15N3O8S2 Net Charge -2 Average Mass 369.37200 Monoisotopic Mass 369.03115 InChI InChI=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 InChIKey QUBUTNSZZFICHL-WDSKDSINSA-L SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CSS([O-])=O)C(=O)NCC([O-])=O)C([O-])=O ChEBI Ontology Outgoing 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 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 Synonym Source glutathione S,S-dioxide UniProt Manual Xref Database CPD-17866 MetaCyc View more database links Citations Types Sources 12855721 PubMed citation SUBMITTER 25596185 PubMed citation SUBMITTER Last Modified 18 August 2015