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CHEBI:65022 - γGluCys(IAN)

ChEBI IDCHEBI:65022
ChEBI NameγGluCys(IAN)
Stars
ASCII NamegammaGluCys(IAN)
DefinitionAn S-conjugate dipeptide consisting of L-γ-glutamyl-L-cysteine in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group.
Last Modified5 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC18H20N4O5S
Net Charge0
Average Mass404.448
Monoisotopic Mass404.11544
SMILESN#CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)c1cnc2ccccc12
InChIInChI=1S/C18H20N4O5S/c19-7-15(11-8-21-13-4-2-1-3-10(11)13)28-9-14(18(26)27)22-16(23)6-5-12(20)17(24)25/h1-4,8,12,14-15,21H,5-6,9,20H2,(H,22,23)(H,24,25)(H,26,27)/t12-,14-,15?/m0/s1
InChIKeyFGSKBDHSKRORJJ-XRJCJLGXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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) (CHEBI:65022) has functional parent gamma-glutamylcysteine (CHEBI:24195)
γGluCys(IAN) (CHEBI:65022) has functional parent indole-3-acetonitrile (CHEBI:17566)
γGluCys(IAN) (CHEBI:65022) has role metabolite (CHEBI:25212)
γGluCys(IAN) (CHEBI:65022) is a S-conjugate (CHEBI:64987)
γGluCys(IAN) (CHEBI:65022) is a dipeptide (CHEBI:46761)
γGluCys(IAN) (CHEBI:65022) is a indoles (CHEBI:24828)
γGluCys(IAN) (CHEBI:65022) is a nitrile (CHEBI:18379)
IUPAC Name 
L-γ-glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteine
Synonyms  Source
indole-3-acetonitrile-L-γ-glutamyl-L-cysteine conjugateChEBI
indole-3-acetonitrile-γ-glutamylcysteine conjugateChEBI
L-γ-Glu-L-Cys-(IAN)ChEBI
Citations