CHEBI:28683 - kynurenine

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ChEBI Name kynurenine
ChEBI ID CHEBI:28683
Definition A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6148, CHEBI:24992
Supplier Information
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Formula C10H12N2O3
Net Charge 0
Average Mass 208.21396
Monoisotopic Mass 208.085
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)
InChIKey YGPSJZOEDVAXAB-UHFFFAOYSA-N
SMILES NC(CC(=O)c1ccccc1N)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kynurenine (CHEBI:28683) has role human metabolite (CHEBI:77746)
kynurenine (CHEBI:28683) is a aromatic ketone (CHEBI:76224)
kynurenine (CHEBI:28683) is a non-proteinogenic α-amino acid (CHEBI:83925)
kynurenine (CHEBI:28683) is a substituted aniline (CHEBI:48975)
kynurenine (CHEBI:28683) is conjugate acid of kynureninate (CHEBI:67008)
Incoming N-acetylkynurenine (CHEBI:133592) has functional parent kynurenine (CHEBI:28683)
N-formylkynurenine (CHEBI:18377) has functional parent kynurenine (CHEBI:28683)
hydroxykynurenine (CHEBI:86497) has functional parent kynurenine (CHEBI:28683)
D-kynurenine (CHEBI:86262) is a kynurenine (CHEBI:28683)
L-kynurenine (CHEBI:16946) is a kynurenine (CHEBI:28683)
kynureninate (CHEBI:67008) is conjugate base of kynurenine (CHEBI:28683)
IUPAC Name
2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Synonym Source
Kynurenine KEGG COMPOUND
Manual Xref Database
C01718 KEGG COMPOUND
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Registry Numbers Types Sources
2697333 Reaxys Registry Number Reaxys
343-65-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14651996 PubMed citation Europe PMC
16139256 PubMed citation Europe PMC
17386621 PubMed citation Europe PMC
19027117 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
04 October 2016