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CHEBI:1547 - 3-hydroxykynurenine

ChEBI IDCHEBI:1547
ChEBI Name3-hydroxykynurenine
Stars
DefinitionA hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3.
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H12N2O4
Net Charge0
Average Mass224.216
Monoisotopic Mass224.07971
SMILESNc1c(O)cccc1C(=O)CC(N)C(=O)O
InChIInChI=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)
InChIKeyVCKPUUFAIGNJHC-UHFFFAOYSA-N
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)
3-hydroxykynurenine (CHEBI:1547) has role human metabolite (CHEBI:77746)
3-hydroxykynurenine (CHEBI:1547) is a hydroxykynurenine (CHEBI:86497)
Incoming Relation(s)
3-hydroxy-L-kynurenine (CHEBI:17380) is a 3-hydroxykynurenine (CHEBI:1547)
IUPAC Name 
3-(2-amino-3-hydroxybenzoyl)alanine
Synonyms  Source
3-HydroxykynurenineKEGG COMPOUND
2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acidIUPAC
3-(3-hydroxyanthraniloyl)alanineChemIDplus
3-Hydroxy-DL-kynurenineKEGG COMPOUND
Manual XrefsDatabases
C02794KEGG COMPOUND
HMDB0000732HMDB
Registry NumbersSources
Reaxys:2697635Reaxys
CAS:484-78-6ChemIDplus
Citations