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CHEBI:136832 - Cys(IAN)-Gly zwitterion

ChEBI IDCHEBI:136832
ChEBI NameCys(IAN)-Gly zwitterion
Stars
DefinitionA 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.
Last Modified28 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H16N4O3S
Net Charge0
Average Mass332.385
Monoisotopic Mass332.09431
SMILESN#CC(SC[C@H]([NH3+])C(=O)NCC(=O)[O-])c1cnc2ccccc12
InChIInChI=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
InChIKeyKRSCQOPJLNSQDL-AMGKYWFPSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
L-Cys(IAN)-Gly zwitterionChEBI
UniProt Name  Source
2-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetonitrileUniProt
Manual XrefsDatabases
CPD-12635MetaCyc