CHEBI:79191 - L-Cys(IAN) zwitterion

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ChEBI Name L-Cys(IAN) zwitterion
ChEBI ID CHEBI:79191
ChEBI ASCII Name L-Cys(IAN) zwitterion
Definition An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-Cys(IAN). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C13H13N3O2S
Net Charge 0
Average Mass 275.32600
Monoisotopic Mass 275.07285
InChI InChI=1S/C13H13N3O2S/c14-5-12(19-7-10(15)13(17)18)9-6-16-11-4-2-1-3-8(9)11/h1-4,6,10,12,16H,7,15H2,(H,17,18)/t10-,12?/m0/s1
InChIKey XNBDZHNCVGUXMR-NUHJPDEHSA-N
SMILES [NH3+][C@@H](CSC(C#N)c1c[nH]c2ccccc12)C([O-])=O
ChEBI Ontology
Outgoing L-Cys(IAN) zwitterion (CHEBI:79191) is a L-α-amino acid zwitterion (CHEBI:59869)
L-Cys(IAN) zwitterion (CHEBI:79191) is tautomer of L-Cys(IAN) (CHEBI:64988)
Incoming L-Cys(IAN) (CHEBI:64988) is tautomer of L-Cys(IAN) zwitterion (CHEBI:79191)
IUPAC Name
(2R)-2-azaniumyl-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoate
Synonym Source
2-(L-cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile UniProt
Manual Xref Database
CPD-12636 MetaCyc
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Last Modified
13 April 2017