loading...| Preferred Name |
benzoate |
| Synonyms |
benzoate anion Benzenemethanoate benzoic acid, ion(1-) Benzeneformate Phenylcarboxylate Phenylformate Benzenecarboxylate 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 |
| charge |
-1 |
| database_cross_reference |
Reaxys:1862486 KEGG:C00180 CAS:766-76-7 MetaCyc:BENZOATE Gmelin:2945 Beilstein:1862486 HMDB:HMDB0001870 UM-BBD_compID:c0121 |
| formula |
C7H5O2 |
| has exact synonym |
benzoate |
| has role | |
| has_alternative_id |
CHEBI:13879 CHEBI:22717 |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
benzoate anion Benzenemethanoate benzoic acid, ion(1-) Benzeneformate Phenylcarboxylate Phenylformate Benzenecarboxylate |
| id |
CHEBI:16150 |
| imported from | |
| 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 |
| textual 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. |
| subClassOf |