Terminology Service for NFDI4Health
benzoate
Go to external page
http://purl.obolibrary.org/obo/CHEBI_16150
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.
Term info
Label
benzoate
Synonyms
- benzoate
Subsets
3_STAR
charge
-1
formula
C7H5O2
has alternative id
CHEBI:22717, CHEBI:13879
has obo namespace
chebi_ontology
has related synonym
Benzenecarboxylate, Phenylformate, Benzenemethanoate, Benzeneformate, benzoate anion, benzoic acid, ion(1-), Phenylcarboxylate
id
CHEBI:16150
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
mass
121.11340
monoisotopicmass
121.02950
smiles
[O-]C(=O)c1ccccc1
Term relations
Subclass of:
- benzoates
- has role some human xenobiotic metabolite
- is conjugate base of some benzoic acid
- has role some plant metabolite
Related from:
has functional parent
- 4-hydroxy-3-octaprenylbenzoate
- 2,6-dichlorobenzoate
- 2,4-dichlorobenzoate
- 4-nitrobenzoate
- p-mercuribenzoate
- 4-sulfonatobenzoate(2-)
- 4-fluorobenzoate
- 3-fluorobenzoate
- 3,5-dichloro-4-hydroxybenzoate
- 3-bromo-4-hydroxybenzoate
- 3,5-dibromo-4-hydroxybenzoate
- 2,4,6-trimethylbenzoate
- 2,4-dimethylbenzoate
- 2,3-dimethylbenzoate
- 2,5-dimethylbenzoate
- 3,4-dimethylbenzoate
- 3,5-dimethylbenzoate
- 2,6-dimethylbenzoate
- 2-nitrobenzoate
- 2-halobenzoate
- cloperastine fendizoate
- 2-diazoniobenzoate
- 3-diazoniobenzoate
- 4-diazoniobenzoate
- 3-chlorobenzoate
- macrophomate
- 3-ethoxybenzoate
- 2,3-dihydroxybenzoate
- 3,4-dihydroxybenzoate
- 4-chlorobenzoate
- 4-hydroxybenzoate
- 4-aminobenzoate
- 3-hydroxybenzoate
- 4-methoxybenzoate