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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid

ChEBI ID	CHEBI:228568

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H18N2O3

Net Charge

Average Mass

334.375

Monoisotopic Mass

334.13174

InChI

InChI=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)

InChIKey

PLRALSVBRIVBCP-UHFFFAOYSA-N

SMILES

O=C(NC1=NC=2C(C=C1)=CC=CC2)CC(CC(O)=O)C3=CC=CC=C3

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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