CHEBI:30775 - fluoroacetic acid

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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
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Formula C2H3FO2
Net Charge 0
Average Mass 78.04242
Monoisotopic Mass 78.012
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).
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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
Synonyms Sources
acide-monofluoracetique ChemIDplus
Cymonic acid KEGG COMPOUND
Fluoroacetic acid KEGG COMPOUND
Gifblaar poison KEGG COMPOUND
HFA KEGG COMPOUND
Monofluoressigsaure ChemIDplus
monofluoroacetic acid NIST Chemistry WebBook
UN 2642 KEGG COMPOUND
Manual Xrefs Databases
C00001196 KNApSAcK
C06108 KEGG COMPOUND
FAH PDBeChem
Fluoroacetic_acid Wikipedia
View more database links
Registry Numbers Types Sources
144-49-0 CAS Registry Number KEGG COMPOUND
144-49-0 CAS Registry Number ChemIDplus
144-49-0 CAS Registry Number NIST Chemistry WebBook
1739053 Beilstein Registry Number Beilstein
1739053 Reaxys Registry Number Reaxys
25730 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
17141253 PubMed citation Europe PMC
17425556 PubMed citation Europe PMC
18803668 PubMed citation Europe PMC
19069133 PubMed citation Europe PMC
19279811 PubMed citation Europe PMC
21411227 PubMed citation Europe PMC
Last Modified
05 May 2015