CHEBI:18377 - N-formylkynurenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-formylkynurenine
ChEBI ID CHEBI:18377
ChEBI ASCII Name N-formylkynurenine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5156, CHEBI:12509
Supplier Information
Download Molfile XML SDF
Formula C11H12N2O4
Net Charge 0
Average Mass 236.22406
Monoisotopic Mass 236.07971
InChI InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
InChIKey BYHJHXPTQMMKCA-UHFFFAOYSA-N
SMILES [H]C(=O)Nc1ccccc1C(=O)CC(N)C(O)=O
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-formylkynurenine (CHEBI:18377) has functional parent kynurenine (CHEBI:28683)
N-formylkynurenine (CHEBI:18377) is a non-proteinogenic α-amino acid (CHEBI:83925)
N-formylkynurenine (CHEBI:18377) is a non-proteinogenic amino acid derivative (CHEBI:83812)
Incoming 5-hydroxy-N-formylkynurenine (CHEBI:2065) has functional parent N-formylkynurenine (CHEBI:18377)
N-formyl-L-kynurenine (CHEBI:30249) is a N-formylkynurenine (CHEBI:18377)
IUPAC Name
2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Synonyms Sources
3-(2-formamidobenzoyl)alanine ChEBI
Formylkynurenine KEGG COMPOUND
N-Formylkynurenine KEGG COMPOUND
Manual Xref Database
C02406 KEGG COMPOUND
View more database links
Registry Number Type Source
1022-31-7 CAS Registry Number KEGG COMPOUND
Last Modified
18 May 2017