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
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Formula C10H12N2O4
Net Charge 0
Average Mass 224.21336
Monoisotopic Mass 224.080
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 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
Database Links Databases
C02794 KEGG COMPOUND
HMDB00732 HMDB
View more database links
Registry Numbers Types Sources
2697635 Reaxys Registry Number Reaxys
484-78-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11477208 PubMed citation Europe PMC
15206726 PubMed citation Europe PMC
Last Modified
23 October 2015