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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
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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.
View more via ChEBI Ontology
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-chlorobenzoyl-AMP(1−) (
CHEBI:188482
)
has functional parent
4-chlorobenzoate (
CHEBI:17861
)
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
View more database links
Registry Numbers
Types
Sources
326210
Gmelin Registry Number
Gmelin
3904780
Beilstein Registry Number
Beilstein
3904780
Reaxys Registry Number
Reaxys
Last Modified
10 April 2015