N-formyl-L-kynurenine (CHEBI:30249)

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ChEBI Name	N-formyl-L-kynurenine

ChEBI ID	CHEBI:30249

ChEBI ASCII Name	N-formyl-L-kynurenine

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:12505, CHEBI:13100, CHEBI:21712, CHEBI:6215, CHEBI:17949

Supplier Information

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Formulae

C11H12N2O4
C11H12N2O4

Net Charge

Average Mass

236.227

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)/t8-/m0/s1

InChIKey

BYHJHXPTQMMKCA-QMMMGPOBSA-N

SMILES

C1=CC=C(C(C(C[C@@H](C(=O)O)N)=O)=C1)NC(=O)[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
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):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	N-formyl-L-kynurenine (CHEBI:30249) has functional parent L-kynurenine (CHEBI:16946) N-formyl-L-kynurenine (CHEBI:30249) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) N-formyl-L-kynurenine (CHEBI:30249) has role human metabolite (CHEBI:77746) N-formyl-L-kynurenine (CHEBI:30249) has role mouse metabolite (CHEBI:75771) N-formyl-L-kynurenine (CHEBI:30249) is a N-formylkynurenine (CHEBI:18377) N-formyl-L-kynurenine (CHEBI:30249) is a non-proteinogenic L-α-amino acid (CHEBI:83822) N-formyl-L-kynurenine (CHEBI:30249) is a non-proteinogenic amino acid derivative (CHEBI:83812) N-formyl-L-kynurenine (CHEBI:30249) is tautomer of N-formyl-L-kynurenine zwitterion (CHEBI:58629)

Incoming	5-hydroxy-N-formyl-L-kynurenine (CHEBI:36407) has functional parent N-formyl-L-kynurenine (CHEBI:30249) N-formyl-L-kynurenine zwitterion (CHEBI:58629) is tautomer of N-formyl-L-kynurenine (CHEBI:30249)

IUPAC Name

(2S)-2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid

Registry Number	Type	Source
1022-31-7	CAS Registry Number	KEGG COMPOUND

Last Modified

21 November 2019