CHEBI:58629 - N-formyl-L-kynurenine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-formyl-L-kynurenine zwitterion
ChEBI ID CHEBI:58629
ChEBI ASCII Name N-formyl-L-kynurenine zwitterion
Definition Zwitterionic form of N-formyl-L-kynurenine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H12N2O4
Net Charge 0
Average Mass 236.22400
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 [NH3+][C@@H](CC(=O)c1ccccc1NC=O)C([O-])=O
ChEBI Ontology
Outgoing N-formyl-L-kynurenine zwitterion (CHEBI:58629) is a amino acid zwitterion (CHEBI:35238)
N-formyl-L-kynurenine zwitterion (CHEBI:58629) is tautomer of N-formyl-L-kynurenine (CHEBI:30249)
Incoming N-formyl-L-kynurenine (CHEBI:30249) is tautomer of N-formyl-L-kynurenine zwitterion (CHEBI:58629)
IUPAC Name
(2S)-2-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate
Synonym Source
N-formyl-L-kynurenine UniProt
Last Modified
25 October 2017