Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:34:47 UTC
Update Date2022-12-15 22:51:53 UTC
Metabolite IDMMDBc0033100
Metabolite Identification
Common NameN-Formyl-L-kynurenine
DescriptionL-Formylkynurenine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. L-Formylkynurenine is a very strong basic compound (based on its pKa). These are compounds containing 1-phenylbutan-1-one moiety.
Structure
Synonyms
ValueSource
3-(2-Formamidobenzoyl)-L-alanineChEBI
N'-formylkynurenineChEBI
N-FormylkynurenineChEBI
N-Formyl-L-kynurenineKegg
L-FormylkynurenineChEBI
Molecular FormulaC11H12N2O4
Average Mass236.224
Monoisotopic Mass236.079706882
IUPAC Name(2S)-2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid
Traditional NameN'-formylkynurenine
CAS Registry Number1022-31-7
SMILES
N[C@@H](CC(=O)C1=CC=CC=C1NC=O)C(O)=O
InChI Identifier
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
InChI KeyBYHJHXPTQMMKCA-QMMMGPOBSA-N