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CHEBI:2076 - 5-hydroxykynurenine

ChEBI IDCHEBI:2076
ChEBI Name5-hydroxykynurenine
Stars
DefinitionA hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5.
Last Modified15 July 2015
DownloadsMolfile
FormulaC10H12N2O4
Net Charge0
Average Mass224.216
Monoisotopic Mass224.07971
SMILESNc1ccc(O)cc1C(=O)CC(N)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)
InChIKeyOTDQYOVYQQZAJL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5-hydroxykynurenine (CHEBI:2076) has role human metabolite (CHEBI:77746)
5-hydroxykynurenine (CHEBI:2076) is a hydroxykynurenine (CHEBI:86497)
Incoming Relation(s)
5-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent 5-hydroxykynurenine (CHEBI:2076)
5-hydroxy-L-kynurenine (CHEBI:36408) is a 5-hydroxykynurenine (CHEBI:2076)
IUPAC Name 
3-(2-amino-5-hydroxybenzoyl)alanine
Synonyms  Source
2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acidIUPAC
5-HydroxykynurenineKEGG COMPOUND
Registry NumbersSources
Reaxys:2985859Reaxys
CAS:720-00-3ChemIDplus