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CHEBI:746924 - N-acetylkynureninate(1-)

Default Structure
ChEBI IDCHEBI:746924
ChEBI NameN-acetylkynureninate(1-)
Stars
Last Modified9 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC12H13N2O4
Net Charge-1
Average Mass249.246
Monoisotopic Mass249.08808
SMILESCC(=O)N[C@@H](CC(=O)c1ccccc1N)C(=O)[O-]
InChIInChI=1S/C12H14N2O4/c1-7(15)14-10(12(17)18)6-11(16)8-4-2-3-5-9(8)13/h2-5,10H,6,13H2,1H3,(H,14,15)(H,17,18)/p-1/t10-/m0/s1
InChIKeyPPIMFXHQDQRWGJ-JTQLQIEISA-M
Species of MetaboliteComponentSourceComments
Homo sapien46985s (ncbitaxon:9606) blood plasma (BTO:0000131) PubMed (32271169)
ChEBI Ontology
Outgoing Relation(s)
N-acetylkynureninate(1-) (CHEBI:746924) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S)-2-acetamido-4-(2-aminophenyl)-4-oxobutanoate