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CHEBI:30249 - N-formyl-L-kynurenine

ChEBI IDCHEBI:30249
ChEBI NameN-formyl-L-kynurenine
Stars
ASCII NameN-formyl-L-kynurenine
Secondary ChEBI IDsCHEBI:6215, CHEBI:12505, CHEBI:13100, CHEBI:17949, CHEBI:21712
Last Modified16 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H12N2O4
Net Charge0
Average Mass236.227
Monoisotopic Mass236.07971
SMILES[H]C(=O)Nc1ccccc1C(=O)C[C@H](N)C(=O)O
InChIInChI=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
InChIKeyBYHJHXPTQMMKCA-QMMMGPOBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
L-FormylkynurenineKEGG COMPOUND
N-Formyl-L-kynurenineKEGG COMPOUND
3-(2-formamidobenzoyl)-L-alanineChEBI
N'-formylkynurenineChemIDplus
N-formylkynurenineChemIDplus
N-FormylkynurenineKEGG COMPOUND
Manual XrefsDatabases
C02700KEGG COMPOUND
C00007605KNApSAcK
NFKPDBeChem
N'-FormylkynurenineWikipedia
Registry NumbersSources
CAS:1022-31-7KEGG COMPOUND
Citations