EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228568 - 5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid

ChEBI IDCHEBI:228568
ChEBI Name5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O3
Net Charge0
Average Mass334.375
Monoisotopic Mass334.13174
SMILESO=C(O)CC(CC(=O)Nc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H18N2O3/c23-19(12-16(13-20(24)25)14-6-2-1-3-7-14)22-18-11-10-15-8-4-5-9-17(15)21-18/h1-11,16H,12-13H2,(H,24,25)(H,21,22,23)
InChIKeyPLRALSVBRIVBCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid (CHEBI:228568) is a benzenes (CHEBI:22712)
5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid (CHEBI:228568) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-oxo-3-phenyl-5-(quinolin-2-ylamino)pentanoic acid
Manual XrefsDatabases
2091220ChemSpider