EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58905 - S-sulfanylglutathionate(1−)

Default Structure
ChEBI IDCHEBI:58905
ChEBI NameS-sulfanylglutathionate(1−)
Stars
ASCII NameS-sulfanylglutathionate(1-)
DefinitionConjugate base of S-sulfanylglutathione having both carboxy groups in anionic form and a protonated primary amino group.
Last Modified27 April 2015
DownloadsMolfile
FormulaC10H16N3O6S2
Net Charge-1
Average Mass338.387
Monoisotopic Mass338.04860
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSS)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1
InChIKeyQBOLVLBSUGJHGB-WDSKDSINSA-M
ChEBI Ontology
Outgoing Relation(s)
S-sulfanylglutathionate(1−) (CHEBI:58905) is a α-amino-acid anion (CHEBI:33558)
S-sulfanylglutathionate(1−) (CHEBI:58905) is conjugate base of S-sulfanylglutathione (CHEBI:52857)
Incoming Relation(s)
S-sulfanylglutathione (CHEBI:52857) is conjugate acid of S-sulfanylglutathionate(1−) (CHEBI:58905)
IUPAC Name 
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-disulfanyl-1-oxopropan-2-yl}amino)-5-oxopentanoate
Synonym  Source
(2S)-2-azaniumyl-4-{[(1R)-1-[(carboxylatomethyl)carbamoyl]-2-disulfanylethyl]carbamoyl}butanoateChEBI
UniProt Name  Source
S-sulfanylglutathioneUniProt