CHEBI:64980 - γGluCys(IAN)Gly

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ChEBI Name γGluCys(IAN)Gly
ChEBI ID CHEBI:64980
ChEBI ASCII Name gammaGluCys(IAN)Gly
Definition A glutathione conjugate that is the S-cyano(indol-3-yl)methyl derivative of glutathione.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H23N5O6S
Net Charge 0
Average Mass 461.49200
Monoisotopic Mass 461.13690
InChI InChI=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
InChIKey IYKWLNJKMRZQJG-JFXOEICMSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(=O)NCC(O)=O)C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 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 conjugate MetaCyc
Manual Xref Database
CPD-12634 MetaCyc
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Citation Waiting for Citations Type Source
19567706 PubMed citation Europe PMC
Last Modified
21 February 2013