CHEBI:64978 - γGluCys(IAN)Glu

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name γGluCys(IAN)Glu
ChEBI ID CHEBI:64978
ChEBI ASCII Name gammaGluCys(IAN)Glu
Definition A tripeptide that consists of L-γ-glutamyl-L-cysteinyl-L-glutamic acid in which the the cysteine side chain is substituted by a cyano(indol-3-yl)methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H27N5O8S
Net Charge 0
Average Mass 533.55400
Monoisotopic Mass 533.15803
InChI InChI=1S/C23H27N5O8S/c24-9-18(13-10-26-15-4-2-1-3-12(13)15)37-11-17(27-19(29)7-5-14(25)22(33)34)21(32)28-16(23(35)36)6-8-20(30)31/h1-4,10,14,16-18,26H,5-8,11,25H2,(H,27,29)(H,28,32)(H,30,31)(H,33,34)(H,35,36)/t14-,16-,17-,18?/m0/s1
InChIKey VIFUUCKOHMULOK-PNQBHLATSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing γGluCys(IAN)Glu (CHEBI:64978) has functional parent cysteine (CHEBI:15356)
γGluCys(IAN)Glu (CHEBI:64978) has functional parent glutamic acid (CHEBI:18237)
γGluCys(IAN)Glu (CHEBI:64978) has functional parent indole-3-acetonitrile (CHEBI:17566)
γGluCys(IAN)Glu (CHEBI:64978) has role metabolite (CHEBI:25212)
γGluCys(IAN)Glu (CHEBI:64978) is a S-conjugate (CHEBI:64987)
γGluCys(IAN)Glu (CHEBI:64978) is a indoles (CHEBI:24828)
γGluCys(IAN)Glu (CHEBI:64978) is a nitrile (CHEBI:18379)
γGluCys(IAN)Glu (CHEBI:64978) is a tripeptide (CHEBI:47923)
γGluCys(IAN)Glu (CHEBI:64978) is conjugate acid of γGluCys(IAN)Glu(2−) (CHEBI:64979)
Incoming γGluCys(IAN)Glu(2−) (CHEBI:64979) is conjugate base of γGluCys(IAN)Glu (CHEBI:64978)
IUPAC Name
L-γ-glutamyl-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinyl-L-glutamic acid
Synonym Source
γ-L-Glu-L-Cys-(IAN)-L-Glu ChEBI
Citation Waiting for Citations Type Source
19567706 PubMed citation Europe PMC
Last Modified
18 July 2012