CHEBI:27421 - 3-hydroxykynurenamine

ChEBI IDCHEBI:27421
ChEBI Name3-hydroxykynurenamine
Stars
DefinitionA hydroxykynurenamine that is kynurenamine carrying a hydroxy group at position 3. It is a metabolite of tryptophan that exhibits antiinflammatory and immunomodulatory properties.
Secondary ChEBI IDsCHEBI:1546, CHEBI:20074
Last Modified29 June 2022
DownloadsMolfile
FormulaC9H12N2O2
Net Charge0
Average Mass180.207
Monoisotopic Mass180.08988
SMILESNCCC(=O)c1cccc(O)c1N
InChIInChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2
InChIKeyODOPEICAGBYCFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Homo sapiens (ncbitaxon:9606) lymph (UBERON:0002391) PubMed (34290243)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxykynurenamine (CHEBI:27421) has role anti-inflammatory agent (CHEBI:67079)
3-hydroxykynurenamine (CHEBI:27421) has role human metabolite (CHEBI:77746)
3-hydroxykynurenamine (CHEBI:27421) has role immunomodulator (CHEBI:50846)
3-hydroxykynurenamine (CHEBI:27421) is a hydroxykynurenamine (CHEBI:24705)
3-hydroxykynurenamine (CHEBI:27421) is a phenols (CHEBI:33853)
IUPAC Name 
3-amino-1-(2-amino-3-hydroxyphenyl)propan-1-one
Synonym  Source
3-hydroxy-kynurenamineChEBI
Manual XrefsDatabases
C05636KEGG COMPOUND
HMDB0060281HMDB
Citations