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The Drug Ontology
Last uploaded:
November 15, 2024
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| Preferred Name | benzoate | |
| Synonyms |
Benzenecarboxylate Phenylformate Benzeneformate Benzenemethanoate benzoic acid, ion(1-) benzoate anion Phenylcarboxylate benzoate |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16150 |
|
| alternative label |
Benzenecarboxylate Phenylformate Benzeneformate Benzenemethanoate benzoic acid, ion(1-) benzoate anion Phenylcarboxylate benzoate
|
|
| charge |
-1
|
|
| database_cross_reference |
MetaCyc:BENZOATE KEGG:C00180 CAS:766-76-7 Reaxys:1862486 UM-BBD_compID:c0121 Beilstein:1862486 HMDB:HMDB0001870 Gmelin:2945
|
|
| 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.
|
|
| formula |
C7H5O2
|
|
| has role | ||
| has_alternative_id |
CHEBI:13879 CHEBI:22717
|
|
| has_exact_synonym |
benzoate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Benzenecarboxylate Phenylformate Benzeneformate Benzenemethanoate benzoic acid, ion(1-) benzoate anion Phenylcarboxylate
|
|
| has_RxCUI |
70589
|
|
| id |
CHEBI:16150
|
|
| in_subset | ||
| 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
|
|
| is conjugate base of | ||
| label |
benzoate
|
|
| mass |
121.11340
|
|
| monoisotopicmass |
121.02950
|
|
| notation |
CHEBI:16150
|
|
| prefLabel |
benzoate
|
|
| smiles |
[O-]C(=O)c1ccccc1
|
|
| subClassOf |
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