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> Main
CHEBI:16150 - benzoate
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ChEBI Name
benzoate
ChEBI ID
CHEBI:16150
Definition
The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13879, CHEBI:22717
Supplier Information
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Formula
C7H5O2
Net Charge
-1
Average Mass
121.11340
Monoisotopic Mass
121.02950
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChIKey
WPYMKLBDIGXBTP-UHFFFAOYSA-M
SMILES
[O-]C(=O)c1ccccc1
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
benzoate (
CHEBI:16150
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
benzoate (
CHEBI:16150
)
has role
plant metabolite (
CHEBI:76924
)
benzoate (
CHEBI:16150
)
is a
benzoates (
CHEBI:22718
)
benzoate (
CHEBI:16150
)
is conjugate base of
benzoic acid (
CHEBI:30746
)
Incoming
2,3-dihydroxybenzoate (
CHEBI:36654
)
has functional parent
benzoate (
CHEBI:16150
)
2,3-dimethylbenzoate (
CHEBI:64824
)
has functional parent
benzoate (
CHEBI:16150
)
2,4,6-trimethylbenzoate (
CHEBI:64832
)
has functional parent
benzoate (
CHEBI:16150
)
2,4-dichlorobenzoate (
CHEBI:28995
)
has functional parent
benzoate (
CHEBI:16150
)
2,4-dimethylbenzoate (
CHEBI:64812
)
has functional parent
benzoate (
CHEBI:16150
)
2,5-dimethylbenzoate (
CHEBI:64826
)
has functional parent
benzoate (
CHEBI:16150
)
2,6-dichlorobenzoate (
CHEBI:48624
)
has functional parent
benzoate (
CHEBI:16150
)
2,6-dimethylbenzoate (
CHEBI:64828
)
has functional parent
benzoate (
CHEBI:16150
)
2-diazoniobenzoate (
CHEBI:64432
)
has functional parent
benzoate (
CHEBI:16150
)
2-halobenzoate (
CHEBI:70856
)
has functional parent
benzoate (
CHEBI:16150
)
2-nitrobenzoate (
CHEBI:25619
)
has functional parent
benzoate (
CHEBI:16150
)
3,4-dihydroxybenzoate (
CHEBI:36241
)
has functional parent
benzoate (
CHEBI:16150
)
3,4-dimethylbenzoate (
CHEBI:64820
)
has functional parent
benzoate (
CHEBI:16150
)
3,5-dibromo-4-hydroxybenzoate (
CHEBI:27544
)
has functional parent
benzoate (
CHEBI:16150
)
3,5-dichloro-4-hydroxybenzoate (
CHEBI:53686
)
has functional parent
benzoate (
CHEBI:16150
)
3,5-dimethylbenzoate (
CHEBI:64822
)
has functional parent
benzoate (
CHEBI:16150
)
3-bromo-4-hydroxybenzoate (
CHEBI:140203
)
has functional parent
benzoate (
CHEBI:16150
)
3-chlorobenzoate (
CHEBI:19984
)
has functional parent
benzoate (
CHEBI:16150
)
3-diazoniobenzoate (
CHEBI:64438
)
has functional parent
benzoate (
CHEBI:16150
)
3-ethoxybenzoate (
CHEBI:36648
)
has functional parent
benzoate (
CHEBI:16150
)
3-fluorobenzoate (
CHEBI:28665
)
has functional parent
benzoate (
CHEBI:16150
)
3-hydroxybenzoate (
CHEBI:16193
)
has functional parent
benzoate (
CHEBI:16150
)
4-aminobenzoate (
CHEBI:17836
)
has functional parent
benzoate (
CHEBI:16150
)
4-bromobenzoate (
CHEBI:188472
)
has functional parent
benzoate (
CHEBI:16150
)
4-chlorobenzoate (
CHEBI:17861
)
has functional parent
benzoate (
CHEBI:16150
)
4-diazoniobenzoate (
CHEBI:64443
)
has functional parent
benzoate (
CHEBI:16150
)
4-fluorobenzoate (
CHEBI:27893
)
has functional parent
benzoate (
CHEBI:16150
)
4-hydroxy-3-octaprenylbenzoate (
CHEBI:1617
)
has functional parent
benzoate (
CHEBI:16150
)
4-hydroxybenzoate (
CHEBI:17879
)
has functional parent
benzoate (
CHEBI:16150
)
4-iodobenzoate (
CHEBI:188473
)
has functional parent
benzoate (
CHEBI:16150
)
4-methoxybenzoate (
CHEBI:16639
)
has functional parent
benzoate (
CHEBI:16150
)
4-nitrobenzoate (
CHEBI:142863
)
has functional parent
benzoate (
CHEBI:16150
)
4-sulfonatobenzoate(2−) (
CHEBI:20476
)
has functional parent
benzoate (
CHEBI:16150
)
p
-mercuribenzoate (
CHEBI:20435
)
has functional parent
benzoate (
CHEBI:16150
)
cloperastine fendizoate (
CHEBI:31419
)
has functional parent
benzoate (
CHEBI:16150
)
macrophomate (
CHEBI:38228
)
has functional parent
benzoate (
CHEBI:16150
)
sodium benzoate (
CHEBI:113455
)
has part
benzoate (
CHEBI:16150
)
benzoic acid (
CHEBI:30746
)
is conjugate acid of
benzoate (
CHEBI:16150
)
IUPAC Name
benzoate
Synonyms
Sources
Benzenecarboxylate
HMDB
Benzeneformate
HMDB
Benzenemethanoate
HMDB
benzoate
UniProt
benzoate anion
NIST Chemistry WebBook
benzoic acid, ion(1−)
ChemIDplus
Phenylcarboxylate
HMDB
Phenylformate
HMDB
Manual Xrefs
Databases
BENZOATE
MetaCyc
C00180
KEGG COMPOUND
c0121
UM-BBD
HMDB0001870
HMDB
View more database links
Registry Numbers
Types
Sources
1862486
Reaxys Registry Number
Reaxys
1862486
Beilstein Registry Number
Beilstein
2945
Gmelin Registry Number
Gmelin
766-76-7
CAS Registry Number
NIST Chemistry WebBook
766-76-7
CAS Registry Number
ChemIDplus
Last Modified
12 April 2016