CHEBI:57959 - L-kynurenine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-kynurenine zwitterion
ChEBI ID CHEBI:57959
ChEBI ASCII Name L-kynurenine zwitterion
Definition Zwitterionic form of L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C10H12N2O3
Net Charge 0
Average Mass 208.21390
Monoisotopic Mass 208.08479
InChI InChI=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
InChIKey YGPSJZOEDVAXAB-QMMMGPOBSA-N
SMILES Nc1ccccc1C(=O)C[C@H]([NH3+])C([O-])=O
ChEBI Ontology
Outgoing 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 3-hydroxy-4-methyl-L-kynurenine zwitterion (CHEBI:141609) has functional parent 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
Synonyms Sources
(2S)-4-(2-aminophenyl)-2-ammonio-4-oxobutanoate IUPAC
L-kynurenine UniProt
Manual Xref Database
CPD-14736 MetaCyc
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Last Modified
11 July 2014