N-formylkynurenine (CHEBI:18377)

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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	eMolecules:636962, ZINC000100044649

Download	Molfile XML SDF

Formula

C11H12N2O4

Net Charge

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 )

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
2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid	ChEBI
3-(2-formamidobenzoyl)alanine	ChEBI
α-amino-2-(formylamino)-γ-oxobenzenebutanoic acid	ChEBI
formylkynurenine	ChEBI
N'-formylkynurenine	ChEBI
N-formylkynurenine	ChEBI

Registry Number	Type	Source
1022-31-7	CAS Registry Number	ChEBI

Last Modified

16 May 2024