CHEBI:137676 - Cys(IAN)-Gly

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ChEBI Name Cys(IAN)-Gly
ChEBI ID CHEBI:137676
Definition An S-conjugate in which the mercapto hydrogen of L-cysteinylglycine has been replaced by a cyano(indol-3-yl)methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H16N4O3S
Net Charge 0
Average Mass 332.379
Monoisotopic Mass 332.09431
InChI InChI=1S/C15H16N4O3S/c16-5-13(10-6-18-12-4-2-1-3-9(10)12)23-8-11(17)15(22)19-7-14(20)21/h1-4,6,11,13,18H,7-8,17H2,(H,19,22)(H,20,21)/t11-,13?/m0/s1
InChIKey KRSCQOPJLNSQDL-AMGKYWFPSA-N
SMILES N[C@@H](CSC(C#N)C1=CNC2=C1C=CC=C2)C(=O)NCC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cys(IAN)-Gly (CHEBI:137676) has functional parent L-cysteinylglycine (CHEBI:4047)
Cys(IAN)-Gly (CHEBI:137676) has functional parent indole-3-acetonitrile (CHEBI:17566)
Cys(IAN)-Gly (CHEBI:137676) is a S-conjugate (CHEBI:64987)
Cys(IAN)-Gly (CHEBI:137676) is a dipeptide (CHEBI:46761)
Cys(IAN)-Gly (CHEBI:137676) is a indoles (CHEBI:24828)
Cys(IAN)-Gly (CHEBI:137676) is a nitrile (CHEBI:18379)
Cys(IAN)-Gly (CHEBI:137676) is tautomer of Cys(IAN)-Gly zwitterion (CHEBI:136832)
Incoming Cys(IAN)-Gly zwitterion (CHEBI:136832) is tautomer of Cys(IAN)-Gly (CHEBI:137676)
IUPAC Name
S-[cyano(1H-indol-3-yl)methyl]-L-cysteinylglycine
Synonyms Sources
2-(glycyl--S-yl)-2-(1H-indol-3-yl)-acetonitrile MetaCyc
IAN-glycylcysteine conjugate ChEBI
indole-3-acetonitrile-glycylcysteine conjugate MetaCyc
L-Cys(IAN)-Gly ChEBI
S-[cyano(indol-3-yl)methyl]-L-cysteinylglycine ChEBI
S-[cyano(indol-3-yl)methyl]cysteinylglycine ChEBI
Manual Xref Database
CPD-12635 MetaCyc
View more database links
Last Modified
06 July 2017