fluoroacetic acid (CHEBI:30775)

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ChEBI Name	fluoroacetic acid

ChEBI ID	CHEBI:30775

Definition	A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:24065, CHEBI:5114

Supplier Information	ChemicalBook:CB3238150, eMolecules:524834, ZINC000003777423

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Formula

C2H3FO2

Net Charge

Average Mass

78.04242

Monoisotopic Mass

78.01171

InChI

InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

QEWYKACRFQMRMB-UHFFFAOYSA-N

SMILES

OC(=O)CF

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

Biological Role(s):	EC 4.2.1.3 (aconitate hydratase) inhibitor An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the function of aconitase (EC 4.2.1.3).

ChEBI Ontology
Outgoing	fluoroacetic acid (CHEBI:30775) has role EC 4.2.1.3 (aconitate hydratase) inhibitor (CHEBI:62608) fluoroacetic acid (CHEBI:30775) is a haloacetic acid (CHEBI:16277) fluoroacetic acid (CHEBI:30775) is a organofluorine compound (CHEBI:37143) fluoroacetic acid (CHEBI:30775) is conjugate acid of fluoroacetate (CHEBI:18172)

Incoming	fluoroacetyl-CoA (CHEBI:61646) has functional parent fluoroacetic acid (CHEBI:30775) fluoroacetate (CHEBI:18172) is conjugate base of fluoroacetic acid (CHEBI:30775)

IUPAC Name

fluoroacetic acid

Last Modified

05 May 2015