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CHEBI:85904 - glutathione S-sulfinate

Default Structure
ChEBI IDCHEBI:85904
ChEBI Nameglutathione S-sulfinate
Stars
ASCII Nameglutathione S-sulfinate
DefinitionAn S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a sulfinyl group.
Last Modified5 March 2020
SubmitterSteve
DownloadsMolfile
FormulaC10H17N3O8S2
Net Charge0
Average Mass371.393
Monoisotopic Mass371.04571
SMILESN[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)/t5-,6-/m0/s1
InChIKeyQUBUTNSZZFICHL-WDSKDSINSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
glutathione S-sulfinate (CHEBI:85904) is a S-substituted glutathione (CHEBI:17021)
glutathione S-sulfinate (CHEBI:85904) is a L-cysteine derivative (CHEBI:83824)
glutathione S-sulfinate (CHEBI:85904) is a tripeptide (CHEBI:47923)
glutathione S-sulfinate (CHEBI:85904) is conjugate acid of glutathione S-sulfinate(2−) (CHEBI:85586)
Incoming Relation(s)
glutathione S-sulfinate(2−) (CHEBI:85586) is conjugate base of glutathione S-sulfinate (CHEBI:85904)
IUPAC Name 
L-γ-glutamyl-3-(sulfinosulfanyl)-L-alanylglycine
Synonyms  Source
S-sulfinylglutathioneChEBI
glutathione S-sulfinic acidChEBI
Manual XrefsDatabases
CPD-17866MetaCyc