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:CB5235360, eMolecules:524685 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 Last Modified 04 October 2016