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CHEBI:64981 - γGluCys(IAN)Gly(1−)

ChEBI IDCHEBI:64981
ChEBI NameγGluCys(IAN)Gly(1−)
Stars
ASCII NamegammaGluCys(IAN)Gly(1-)
DefinitionA peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of γGluCys(IAN)Glu.
Last Modified28 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H22N5O6S
Net Charge-1
Average Mass460.492
Monoisotopic Mass460.12963
SMILESN#CC(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1cnc2ccccc12
InChIInChI=1S/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/p-1/t13-,15-,16?/m0/s1
InChIKeyIYKWLNJKMRZQJG-JFXOEICMSA-M
ChEBI Ontology
Outgoing Relation(s)
γGluCys(IAN)Gly(1−) (CHEBI:64981) is a peptide anion (CHEBI:60334)
γGluCys(IAN)Gly(1−) (CHEBI:64981) is conjugate base of γGluCys(IAN)Gly (CHEBI:64980)
Incoming Relation(s)
γGluCys(IAN)Gly (CHEBI:64980) is conjugate acid of γGluCys(IAN)Gly(1−) (CHEBI:64981)
IUPAC Name 
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoate
Synonym  Source
γGluCys(IAN)Gly anionChEBI
UniProt Name  Source
2-(glutathion-S-yl)-2-(1H-indol-3-yl)acetonitrileUniProt
Manual XrefsDatabases
CPD-12634MetaCyc