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CHEBI:2065 - 5-hydroxy-N-formylkynurenine

ChEBI IDCHEBI:2065
ChEBI Name5-hydroxy-N-formylkynurenine
Stars
ASCII Name5-hydroxy-N-formylkynurenine
DefinitionA non-proteinogenic α-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.
Last Modified26 March 2015
DownloadsMolfile
FormulaC11H12N2O5
Net Charge0
Average Mass252.226
Monoisotopic Mass252.07462
SMILES[H]C(=O)Nc1ccc(O)cc1C(=O)CC(N)C(=O)O
InChIInChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)
InChIKeyLSTOUSIIVKMJBU-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-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent N-formylkynurenine (CHEBI:18377)
5-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent 5-hydroxykynurenine (CHEBI:2076)
5-hydroxy-N-formylkynurenine (CHEBI:2065) has role human metabolite (CHEBI:77746)
5-hydroxy-N-formylkynurenine (CHEBI:2065) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
5-hydroxy-N-formyl-L-kynurenine (CHEBI:36407) is a 5-hydroxy-N-formylkynurenine (CHEBI:2065)
IUPAC Name 
2-amino-4-(2-formamido-5-hydroxyphenyl)-4-oxobutanoic acid
Synonym  Source
5-Hydroxy-N-formylkynurenineKEGG COMPOUND
Manual XrefsDatabases
C05648KEGG COMPOUND
Registry NumbersSources
Reaxys:5058149Reaxys