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CHEBI:64980 - γGluCys(IAN)Gly

ChEBI IDCHEBI:64980
ChEBI NameγGluCys(IAN)Gly
Stars
ASCII NamegammaGluCys(IAN)Gly
DefinitionA glutathione conjugate that is the S-cyano(indol-3-yl)methyl derivative of glutathione.
Last Modified21 February 2013
Submittermwilliams
DownloadsMolfile
FormulaC20H23N5O6S
Net Charge0
Average Mass461.500
Monoisotopic Mass461.13690
SMILESN#CC(SC[C@H](NC(=O)CC[C@H](N)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)/t13-,15-,16?/m0/s1
InChIKeyIYKWLNJKMRZQJG-JFXOEICMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
γGluCys(IAN)Gly (CHEBI:64980) has functional parent indole-3-acetonitrile (CHEBI:17566)
γGluCys(IAN)Gly (CHEBI:64980) has role metabolite (CHEBI:25212)
γGluCys(IAN)Gly (CHEBI:64980) is a glutathione conjugate (CHEBI:24335)
γGluCys(IAN)Gly (CHEBI:64980) is a indoles (CHEBI:24828)
γGluCys(IAN)Gly (CHEBI:64980) is a nitrile (CHEBI:18379)
γGluCys(IAN)Gly (CHEBI:64980) is conjugate acid of γGluCys(IAN)Gly(1−) (CHEBI:64981)
Incoming Relation(s)
γGluCys(IAN)Gly(1−) (CHEBI:64981) is conjugate base of γGluCys(IAN)Gly (CHEBI:64980)
IUPAC Name 
L-γ-glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinylglycine
Synonym  Source
IAN-glutathione conjugateMetaCyc
Manual XrefsDatabases
CPD-12634MetaCyc
Citations