5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid (CHEBI:228556)

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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-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid

ChEBI ID	CHEBI:228556

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H12F3NO3

Net Charge

Average Mass

287.238

Monoisotopic Mass

287.07693

InChI

InChI=1S/C13H12F3NO3/c14-13(15,16)10-3-1-8(2-4-10)6-17-7-9(12(19)20)5-11(17)18/h1-4,9H,5-7H2,(H,19,20)

InChIKey

MNYHTPPMXLOVSD-UHFFFAOYSA-N

SMILES

FC(F)(F)C1=CC=C(CN2CC(CC2=O)C(O)=O)C=C1

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

ChEBI Ontology
Outgoing	5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid (CHEBI:228556) is a (trifluoromethyl)benzenes (CHEBI:83565)

IUPAC Name

5-oxo-1-[[4-(triluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid