EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:18172 - fluoroacetate

ChEBI IDCHEBI:18172
ChEBI Namefluoroacetate
Stars
DefinitionA haloacetate(1−) resulting from the deprotonation of the carboxy group of fluoroacetic acid.
Secondary ChEBI IDsCHEBI:14273, CHEBI:24063
Last Modified5 May 2015
DownloadsMolfile
FormulaC2H2FO2
Net Charge-1
Average Mass77.034
Monoisotopic Mass77.00443
SMILESO=C([O-])CF
InChIInChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
InChIKeyQEWYKACRFQMRMB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
fluoroacetate (CHEBI:18172) has functional parent acetate (CHEBI:30089)
fluoroacetate (CHEBI:18172) is a haloacetate(1−) (CHEBI:85638)
fluoroacetate (CHEBI:18172) is conjugate base of fluoroacetic acid (CHEBI:30775)
Incoming Relation(s)
sodium fluoroacetate (CHEBI:38699) has part fluoroacetate (CHEBI:18172)
fluoroacetic acid (CHEBI:30775) is conjugate acid of fluoroacetate (CHEBI:18172)
IUPAC Name 
fluoroacetate
Synonyms  Source
fluoroacetic acid, ion(1−)ChemIDplus
FCH2CO2 anionNIST Chemistry WebBook
UniProt Name  Source
fluoroacetateUniProt
Manual XrefsDatabases
C06108KEGG COMPOUND
c0801UM-BBD
Registry NumbersSources
Gmelin:323482Gmelin
Reaxys:3536125Reaxys
CAS:513-62-2ChemIDplus
CAS:513-62-2NIST Chemistry WebBook