kynurenine (CHEBI:28683)

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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

Download	Molfile XML SDF

Formula

C10H12N2O3

Net Charge

Average Mass

208.21396

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)

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).

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

Last Modified

04 October 2016