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CHEBI:57959 - L-kynurenine zwitterion

ChEBI IDCHEBI:57959
ChEBI NameL-kynurenine zwitterion
Stars
ASCII NameL-kynurenine zwitterion
DefinitionZwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified11 July 2014
DownloadsMolfile
FormulaC10H12N2O3
Net Charge0
Average Mass208.217
Monoisotopic Mass208.08479
SMILESNc1ccccc1C(=O)C[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKeyYGPSJZOEDVAXAB-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
L-kynurenine zwitterion (CHEBI:57959) is a amino-acid zwitterion (CHEBI:35238)
L-kynurenine zwitterion (CHEBI:57959) is tautomer of L-kynurenine (CHEBI:16946)
Incoming Relation(s)
3-hydroxy-4-methyl-L-kynurenine zwitterion (CHEBI:141609) has functional parent L-kynurenine zwitterion (CHEBI:57959)
D-kynurenine zwitterion (CHEBI:747001) is enantiomer of L-kynurenine zwitterion (CHEBI:57959)
L-kynurenine (CHEBI:16946) is tautomer of L-kynurenine zwitterion (CHEBI:57959)
IUPAC Name 
(2S)-4-(2-aminophenyl)-2-azaniumyl-4-oxobutanoate
Synonym  Source
(2S)-4-(2-aminophenyl)-2-ammonio-4-oxobutanoateIUPAC
UniProt Name  Source
L-kynurenineUniProt
Manual XrefsDatabases
CPD-14736MetaCyc