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CHEBI:188472 - 4-bromobenzoate

Default Structure
ChEBI IDCHEBI:188472
ChEBI Name4-bromobenzoate
Stars
DefinitionA bromobenzoate that is the conjugate base of 4-bromobenzoic acid; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H4BrO2
Net Charge-1
Average Mass200.011
Monoisotopic Mass198.94002
SMILESO=C([O-])c1ccc(Br)cc1
InChIInChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1
InChIKeyTUXYZHVUPGXXQG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-bromobenzoate (CHEBI:188472) has functional parent benzoate (CHEBI:16150)
4-bromobenzoate (CHEBI:188472) is a benzoates (CHEBI:22718)
Incoming Relation(s)
4-bromobenzoyl-AMP(1−) (CHEBI:188483) has functional parent 4-bromobenzoate (CHEBI:188472)
4-bromobenzoyl-CoA(4−) (CHEBI:188476) has functional parent 4-bromobenzoate (CHEBI:188472)
Synonyms  Source
pBr-benzoate anionSUBMITTER
p-bromobenzoateSUBMITTER
UniProt Name  Source
4-bromobenzoateUniProt