Preferred Name |
benzoic acid |
|
Synonyms |
Aromatic carboxylic acid Benzoesaeure Benzenecarboxylic acid Phenylcarboxylic acid Benzeneformic acid Benzenemethanoic acid acide benzoique Dracylic acid Phenylformic acid E210 benzoic acid BENZOIC ACID Benzoic acid |
|
Definitions |
A compound comprising a benzene ring core carrying a carboxylic acid substituent. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_30746 |
|
charge |
0 |
|
database_cross_reference |
MetaCyc:BENZOATE KEGG:C00180 KNApSAcK:C00000207 Reaxys:636131 PMID:18314336 PDBeChem:BEZ PMID:17439666 PMID:16728954 Drug_Central:4664 KEGG:C00539 KEGG:D00038 LINCS:LSM-37118 Beilstein:636131 YMDB:YMDB02301 Wikipedia:Benzoic_Acid HMDB:HMDB0001870 DrugBank:DB03793 Gmelin:2946 CAS:65-85-0 PPDB:1475 |
|
definition |
A compound comprising a benzene ring core carrying a carboxylic acid substituent. |
|
formula |
C7H6O2 |
|
has characteristic |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_64996 http://purl.obolibrary.org/obo/CHEBI_65001 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_76967 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_64996 http://purl.obolibrary.org/obo/CHEBI_65001 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_76967 |
|
has_alternative_id |
CHEBI:41051 CHEBI:22722 CHEBI:3029 |
|
has_exact_synonym |
benzoic acid BENZOIC ACID Benzoic acid |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Aromatic carboxylic acid Benzoesaeure Benzenecarboxylic acid Phenylcarboxylic acid Benzeneformic acid Benzenemethanoic acid acide benzoique Dracylic acid Phenylformic acid E210 |
|
id |
CHEBI:30746 |
|
in_subset | ||
inchi |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
|
inchikey |
WPYMKLBDIGXBTP-UHFFFAOYSA-N |
|
is conjugate acid of | ||
label |
benzoic acid |
|
mass |
122.12130 |
|
monoisotopicmass |
122.03678 |
|
notation |
CHEBI:30746 |
|
prefLabel |
benzoic acid |
|
smiles |
OC(=O)c1ccccc1 |
|
subClassOf |