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 ChemicalBook:CB8112259, eMolecules:478458, ZINC000004474696 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H12N2O3 Net Charge 0 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). 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 View more database links Registry Numbers Types Sources 2697333 Reaxys Registry Number Reaxys 343-65-7 CAS Registry Number ChemIDplus 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