CHEBI:136832 - Cys(IAN)-Gly zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cys(IAN)-Gly zwitterion
ChEBI ID CHEBI:136832
Definition A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of Cys(IAN)-Gly; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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 [NH3+][C@@H](CSC(C#N)C1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-]
ChEBI Ontology
Outgoing Cys(IAN)-Gly zwitterion (CHEBI:136832) is a dipeptide zwitterion (CHEBI:90799)
Cys(IAN)-Gly zwitterion (CHEBI:136832) is tautomer of Cys(IAN)-Gly (CHEBI:137676)
Incoming Cys(IAN)-Gly (CHEBI:137676) is tautomer of Cys(IAN)-Gly zwitterion (CHEBI:136832)
IUPAC Name
{[(2R)-2-azaniumyl-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoyl]amino}acetate
Synonyms Sources
2-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetonitrile UniProt
L-Cys(IAN)-Gly zwitterion ChEBI
Manual Xref Database
CPD-12635 MetaCyc
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Last Modified
28 September 2017