CHEBI:17861 - 4-chlorobenzoate

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ChEBI Name 4-chlorobenzoate
ChEBI ID CHEBI:17861
Definition A chlorobenzoate that is the conjugate base of 4-chlorobenzoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11973, CHEBI:20333
Supplier Information
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Formula C7H4ClO2
Net Charge -1
Average Mass 155.55816
Monoisotopic Mass 154.99053
InChI InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1
InChIKey XRHGYUZYPHTUJZ-UHFFFAOYSA-M
SMILES [O-]C(=O)c1ccc(Cl)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-chlorobenzoate (CHEBI:17861) has functional parent benzoate (CHEBI:16150)
4-chlorobenzoate (CHEBI:17861) has role bacterial xenobiotic metabolite (CHEBI:76976)
4-chlorobenzoate (CHEBI:17861) is a chlorobenzoate (CHEBI:23133)
4-chlorobenzoate (CHEBI:17861) is conjugate base of 4-chlorobenzoic acid (CHEBI:30747)
Incoming 4-chlorobenzoic acid (CHEBI:30747) is conjugate acid of 4-chlorobenzoate (CHEBI:17861)
IUPAC Name
4-chlorobenzoate
Synonyms Sources
4-chlorobenzoate UniProt
p-chlorobenzoate ChEBI
pCl-benzoate anion NIST Chemistry WebBook
Manual Xrefs Databases
c0103 UM-BBD
C02370 KEGG COMPOUND
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Registry Numbers Types Sources
326210 Gmelin Registry Number Gmelin
3904780 Beilstein Registry Number Beilstein
3904780 Reaxys Registry Number Reaxys
Last Modified
10 April 2015