CHEBI:27893 - 4-fluorobenzoate

ChEBI IDCHEBI:27893
ChEBI Name4-fluorobenzoate
Stars
DefinitionA fluorobenzoate that is the conjugate base of 4-fluorobenzoic acid.
Secondary ChEBI IDsCHEBI:1828, CHEBI:20363
Last Modified20 December 2021
DownloadsMolfile
FormulaC7H4FO2
Net Charge-1
Average Mass139.105
Monoisotopic Mass139.02008
SMILESO=C([O-])c1ccc(F)cc1
InChIInChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1
InChIKeyBBYDXOIZLAWGSL-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4-fluorobenzoate (CHEBI:27893) has functional parent benzoate (CHEBI:16150)
4-fluorobenzoate (CHEBI:27893) has role bacterial xenobiotic metabolite (CHEBI:76976)
4-fluorobenzoate (CHEBI:27893) is a fluorobenzoate (CHEBI:24070)
4-fluorobenzoate (CHEBI:27893) is conjugate base of 4-fluorobenzoic acid (CHEBI:20364)
Incoming Relation(s)
4-fluorobenzoyl-AMP(1−) (CHEBI:188481) has functional parent 4-fluorobenzoate (CHEBI:27893)
4-fluorobenzoyl-CoA(4−) (CHEBI:188475) has functional parent 4-fluorobenzoate (CHEBI:27893)
4-fluorobenzoic acid (CHEBI:20364) is conjugate acid of 4-fluorobenzoate (CHEBI:27893)
Synonyms  Source
4-FluorobenzoateKEGG COMPOUND
p-fluorobenzoateUM-BBD
UniProt Name  Source
4-fluorobenzoateUniProt
Manual XrefsDatabases
C02371KEGG COMPOUND
c1039UM-BBD
Registry NumbersSources
Reaxys:3904779Reaxys