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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_30746
http://purl.obolibrary.org/obo/CHEBI_30746
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_30746
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Preferred name
benzoic acid
Synonyms
Benzeneformic acid
Benzoic acid
Phenylformic acid
Benzenecarboxylic acid
benzoic acid
Benzoesaeure
E210
Dracylic acid
Benzenemethanoic acid
acide benzoique
Phenylcarboxylic acid
BENZOIC ACID
Aromatic carboxylic acid
Definitions
A compound comprising a benzene ring core carrying a carboxylic acid substituent.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:3029
CHEBI:22722
CHEBI:41051
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
OC(=O)c1ccccc1
obo_purl:charge
0
obo_purl:inchikey
WPYMKLBDIGXBTP-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76967
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_65256
http://purl.obolibrary.org/obo/CHEBI_76924
http://purl.obolibrary.org/obo/CHEBI_84735
oboinowl_gen:hasDbXref
DrugBank:DB03793
PPDB:1475
LINCS:LSM-37118
KEGG:C00180
MetaCyc:BENZOATE
PMID:17439666
Drug_Central:4664
PDBeChem:BEZ
KEGG:D00038
PMID:18314336
Beilstein:636131
HMDB:HMDB0001870
Reaxys:636131
Gmelin:2946
KNApSAcK:C00000207
YMDB:YMDB02301
Wikipedia:Benzoic_Acid
PMID:16728954
CAS:65-85-0
KEGG:C00539
obo_purl:IAO_0000115
A compound comprising a benzene ring core carrying a carboxylic acid substituent.
skos:notation
CHEBI:30746
oboinowl_gen:hasExactSynonym
Benzoic acid
benzoic acid
BENZOIC ACID
obo_purl:mass
122.12130
obo_purl:inchi
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
obo_purl:formula
C7H6O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_16150
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
Benzeneformic acid
Phenylformic acid
Benzenecarboxylic acid
Benzoesaeure
E210
Dracylic acid
Benzenemethanoic acid
acide benzoique
Phenylcarboxylic acid
Aromatic carboxylic acid
oboinowl_gen:id
CHEBI:30746
rdfs:label
benzoic acid
obo_purl:monoisotopicmass
122.03678
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_22723
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