CHEBI:1547 - 3-hydroxykynurenine

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ChEBI Name 3-hydroxykynurenine ChEBI ID CHEBI:1547 Definition A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H12N2O4 Net Charge 0 Average Mass 224.21336 Monoisotopic Mass 224.07971 InChI InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) InChIKey VCKPUUFAIGNJHC-UHFFFAOYSA-N SMILES NC(CC(=O)c1cccc(O)c1N)C(O)=O 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 3-hydroxykynurenine (CHEBI:1547) has role human metabolite (CHEBI:77746) 3-hydroxykynurenine (CHEBI:1547) is a hydroxykynurenine (CHEBI:86497) Incoming 3-hydroxy-L-kynurenine (CHEBI:17380) is a 3-hydroxykynurenine (CHEBI:1547) IUPAC Name 3-(2-amino-3-hydroxybenzoyl)alanine Synonyms Sources 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid IUPAC 3-(3-hydroxyanthraniloyl)alanine ChemIDplus 3-Hydroxy-DL-kynurenine KEGG COMPOUND 3-Hydroxykynurenine KEGG COMPOUND Manual Xrefs Databases C02794 KEGG COMPOUND HMDB0000732 HMDB View more database links Registry Numbers Types Sources 2697635 Reaxys Registry Number Reaxys 484-78-6 CAS Registry Number ChemIDplus Citations Types Sources 11477208 PubMed citation Europe PMC 15206726 PubMed citation Europe PMC Last Modified 23 October 2015