CHEBI:2065 - 5-hydroxy-N-formylkynurenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-hydroxy-N-formylkynurenine
ChEBI ID CHEBI:2065
ChEBI ASCII Name 5-hydroxy-N-formylkynurenine
Definition A non-proteinogenic α-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C11H12N2O5
Net Charge 0
Average Mass 252.22346
Monoisotopic Mass 252.07462
InChI InChI=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)
InChIKey LSTOUSIIVKMJBU-UHFFFAOYSA-N
SMILES [H]C(=O)Nc1ccc(O)cc1C(=O)CC(N)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 5-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent 5-hydroxykynurenine (CHEBI:2076)
5-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent N-formylkynurenine (CHEBI:18377)
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 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-formylkynurenine KEGG COMPOUND
Manual Xref Database
C05648 KEGG COMPOUND
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Registry Number Type Source
5058149 Reaxys Registry Number Reaxys
Last Modified
26 March 2015