CHEBI:30249 - N-formyl-L-kynurenine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
Formula C11H12N2O4
Net Charge 0
Average Mass 236.22406
Monoisotopic Mass 236.080
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 [H]C(=O)Nc1ccccc1C(=O)C[C@H](N)C(O)=O
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).
(via L-alpha-amino acid )
View more via ChEBI Ontology
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
Synonyms Sources
3-(2-formamidobenzoyl)-L-alanine ChEBI
L-Formylkynurenine KEGG COMPOUND
N'-formylkynurenine ChemIDplus
N-Formyl-L-kynurenine KEGG COMPOUND
N-Formylkynurenine KEGG COMPOUND
N-formylkynurenine ChemIDplus
Manual Xrefs Databases
C00007605 KNApSAcK
C02700 KEGG COMPOUND
View more database links
Registry Number Type Source
1022-31-7 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016