4-Fluorocinnamic acid (CHEBI:176440)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	4-Fluorocinnamic acid

ChEBI ID	CHEBI:176440

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H7FO2

Net Charge

Average Mass

166.151

Monoisotopic Mass

166.04301

InChI

InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+

InChIKey

ISMMYAZSUSYVQG-ZZXKWVIFSA-N

SMILES

FC1=CC=C(C=C1)/C=C/C(O)=O

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	4-Fluorocinnamic acid (CHEBI:176440) is a cinnamic acids (CHEBI:23252)

IUPAC Name

(E)-3-(4-luorophenyl)prop-2-enoic acid

Registry Number	Type	Source
459-32-5	CAS Registry Number	ChemIDplus

Last Modified

07 August 2023