CHEBI:27893 - 4-fluorobenzoate

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ChEBI Name 4-fluorobenzoate
ChEBI ID CHEBI:27893
Definition A fluorobenzoate that is the conjugate base of 4-fluorobenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1828, CHEBI:20363
Supplier Information ChemicalBook:CB22657057, ChemicalBook:CB12566507, eMolecules:26937692, ZINC000013514412
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Formula C7H4FO2
Net Charge -1
Average Mass 139.10440
Monoisotopic Mass 139.02008
InChI InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1
InChIKey BBYDXOIZLAWGSL-UHFFFAOYSA-M
SMILES [O-]C(=O)c1ccc(F)cc1
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 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 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 Sources
4-Fluorobenzoate KEGG COMPOUND
4-fluorobenzoate UniProt
p-fluorobenzoate UM-BBD
Manual Xrefs Databases
C02371 KEGG COMPOUND
c1039 UM-BBD
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Registry Number Type Source
3904779 Reaxys Registry Number Reaxys
Last Modified
20 December 2021