CHEBI:30746 - benzoic acid

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ChEBI Name benzoic acid
ChEBI ID CHEBI:30746
Definition A compound comprising a benzene ring core carrying a carboxylic acid substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22722, CHEBI:41051, CHEBI:3029
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Formula C7H6O2
Net Charge 0
Average Mass 122.12130
Monoisotopic Mass 122.037
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
SMILES OC(=O)c1ccccc1
Metabolite of Species Details
Chlamydomonas reinhardtii (NCBI:3055) See: PubMed
Piper sarmentosum (NCBI:405319) Found in twig (BTO:0001411). Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) See: PubMed
Piper sarmentosum (NCBI:405319) Found in stem (BTO:0001300). Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) See: PubMed
Piper sarmentosum (NCBI:405319) Found in inflorescence (BTO:0000628). Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) See: PubMed
Piper sarmentosum (NCBI:405319) Found in leaf (BTO:0000713). Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) See: PubMed
Paeonia rockii subsp. rockii (NCBI:459179) Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots See: PubMed
Rhododendron ferrugineum (NCBI:49622) Found in leaf (BTO:0000713). MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture See: PubMed
Stachylidium (NCBI:796327) Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea of strain 220 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of triacylglycerol lipase (EC 3.1.1.3).
antimicrobial food preservative
A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
drug allergen
Any drug which causes the onset of an allergic reaction.
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor
A lipoxygenase inhibitor that interferes with the action of arachidonate 15-lipoxygenase (EC 1.13.11.33).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): antimicrobial food preservative
A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
drug allergen
Any drug which causes the onset of an allergic reaction.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing benzoic acid (CHEBI:30746) has role algal metabolite (CHEBI:84735)
benzoic acid (CHEBI:30746) has role antimicrobial food preservative (CHEBI:65256)
benzoic acid (CHEBI:30746) has role drug allergen (CHEBI:88188)
benzoic acid (CHEBI:30746) has role EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor (CHEBI:64996)
benzoic acid (CHEBI:30746) has role EC 3.1.1.3 (triacylglycerol lipase) inhibitor (CHEBI:65001)
benzoic acid (CHEBI:30746) has role human xenobiotic metabolite (CHEBI:76967)
benzoic acid (CHEBI:30746) has role plant metabolite (CHEBI:76924)
benzoic acid (CHEBI:30746) is a benzoic acids (CHEBI:22723)
benzoic acid (CHEBI:30746) is conjugate acid of benzoate (CHEBI:16150)
Incoming 1-(4-carboxy-2-guanidinophenyl)-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45331) has functional parent benzoic acid (CHEBI:30746)
1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one (CHEBI:45265) has functional parent benzoic acid (CHEBI:30746)
2,3-dihydroxybenzoic acid (CHEBI:18026) has functional parent benzoic acid (CHEBI:30746)
2,3-dimethylbenzoic acid (CHEBI:64823) has functional parent benzoic acid (CHEBI:30746)
2,4,6-trimethylbenzoic acid (CHEBI:64830) has functional parent benzoic acid (CHEBI:30746)
2,4-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746)
2,4-dimethylbenzoic acid (CHEBI:64811) has functional parent benzoic acid (CHEBI:30746)
2,5-dihydroxybenzoic acid (CHEBI:17189) has functional parent benzoic acid (CHEBI:30746)
2,5-dimethylbenzoic acid (CHEBI:64825) has functional parent benzoic acid (CHEBI:30746)
2,6-dichlorobenzoic acid (CHEBI:48623) has functional parent benzoic acid (CHEBI:30746)
2,6-dimethylbenzoic acid (CHEBI:64827) has functional parent benzoic acid (CHEBI:30746)
2-(benzoylamino)-4-nitrobenzoic acid (CHEBI:75334) has functional parent benzoic acid (CHEBI:30746)
2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid (CHEBI:46142) has functional parent benzoic acid (CHEBI:30746)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent benzoic acid (CHEBI:30746)
2-chloro-5-(5-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid (CHEBI:47673) has functional parent benzoic acid (CHEBI:30746)
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid (CHEBI:59007) has functional parent benzoic acid (CHEBI:30746)
2-halobenzoic acid (CHEBI:70862) has functional parent benzoic acid (CHEBI:30746)
2-nitrobenzoic acid (CHEBI:25620) has functional parent benzoic acid (CHEBI:30746)
2-succinylbenzoic acid (CHEBI:44788) has functional parent benzoic acid (CHEBI:30746)
3,4,5-trimethoxybenzoic acid (CHEBI:454991) has functional parent benzoic acid (CHEBI:30746)
3,4-dihydroxybenzoic acid (CHEBI:36062) has functional parent benzoic acid (CHEBI:30746)
3,4-dimethylbenzoic acid (CHEBI:64818) has functional parent benzoic acid (CHEBI:30746)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent benzoic acid (CHEBI:30746)
3,5-dichloro-4-hydroxybenzoic acid (CHEBI:53685) has functional parent benzoic acid (CHEBI:30746)
3,5-dihydroxybenzoic acid (CHEBI:39912) has functional parent benzoic acid (CHEBI:30746)
3,5-dimethylbenzoic acid (CHEBI:64821) has functional parent benzoic acid (CHEBI:30746)
3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid (CHEBI:40479) has functional parent benzoic acid (CHEBI:30746)
3-aminobenzoic acid (CHEBI:42682) has functional parent benzoic acid (CHEBI:30746)
3-chlorobenzoic acid (CHEBI:49410) has functional parent benzoic acid (CHEBI:30746)
3-ethoxybenzoic acid (CHEBI:27990) has functional parent benzoic acid (CHEBI:30746)
3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) has functional parent benzoic acid (CHEBI:30746)
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) has functional parent benzoic acid (CHEBI:30746)
3-hydroxybenzoic acid (CHEBI:30764) has functional parent benzoic acid (CHEBI:30746)
3-oxalobenzoic acid (CHEBI:30876) has functional parent benzoic acid (CHEBI:30746)
4-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) has functional parent benzoic acid (CHEBI:30746)
4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223) has functional parent benzoic acid (CHEBI:30746)
4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid (CHEBI:39493) has functional parent benzoic acid (CHEBI:30746)
4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid (CHEBI:43250) has functional parent benzoic acid (CHEBI:30746)
4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid (CHEBI:41099) has functional parent benzoic acid (CHEBI:30746)
4-aminobenzoic acid (CHEBI:30753) has functional parent benzoic acid (CHEBI:30746)
4-chlorobenzoic acid (CHEBI:30747) has functional parent benzoic acid (CHEBI:30746)
4-hydroxy-3-octaprenylbenzoic acid (CHEBI:50116) has functional parent benzoic acid (CHEBI:30746)
4-isothiocyanatobenzoic acid (CHEBI:64464) has functional parent benzoic acid (CHEBI:30746)
4-methoxybenzoic acid (CHEBI:40813) has functional parent benzoic acid (CHEBI:30746)
4-nitrobenzoic acid (CHEBI:262350) has functional parent benzoic acid (CHEBI:30746)
4-sulfobenzoic acid (CHEBI:30789) has functional parent benzoic acid (CHEBI:30746)
4-{5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid (CHEBI:41325) has functional parent benzoic acid (CHEBI:30746)
4-{[(2R,5S)-5-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid (CHEBI:40589) has functional parent benzoic acid (CHEBI:30746)
5-chlorosalicylic acid (CHEBI:420128) has functional parent benzoic acid (CHEBI:30746)
5-sulfosalicylic acid (CHEBI:68555) has functional parent benzoic acid (CHEBI:30746)
N-benzoyl-D-arginines (CHEBI:21681) has functional parent benzoic acid (CHEBI:30746)
N-benzoyl-L-arginine (CHEBI:90086) has functional parent benzoic acid (CHEBI:30746)
p-chloromercuribenzoic acid (CHEBI:28420) has functional parent benzoic acid (CHEBI:30746)
p-mercuribenzoic acid (CHEBI:28886) has functional parent benzoic acid (CHEBI:30746)
tert-butyl benzoate (CHEBI:34034) has functional parent benzoic acid (CHEBI:30746)
benzamidine (CHEBI:41033) has functional parent benzoic acid (CHEBI:30746)
benzohydrazide (CHEBI:38454) has functional parent benzoic acid (CHEBI:30746)
benzoic anhydride (CHEBI:38815) has functional parent benzoic acid (CHEBI:30746)
benzoyl cyanide (CHEBI:51853) has functional parent benzoic acid (CHEBI:30746)
benzoyl-CoA (CHEBI:15515) has functional parent benzoic acid (CHEBI:30746)
benzoylacetonitrile (CHEBI:51855) has functional parent benzoic acid (CHEBI:30746)
benzyl benzoate (CHEBI:41237) has functional parent benzoic acid (CHEBI:30746)
fluorobenzoic acid (CHEBI:24071) has functional parent benzoic acid (CHEBI:30746)
hydroxybenzoic acid (CHEBI:24676) has functional parent benzoic acid (CHEBI:30746)
isobutyl benzoate (CHEBI:87500) has functional parent benzoic acid (CHEBI:30746)
macrophomic acid (CHEBI:38227) has functional parent benzoic acid (CHEBI:30746)
metronidazole benzoate (CHEBI:50688) has functional parent benzoic acid (CHEBI:30746)
pentafluorobenzoic acid (CHEBI:46796) has functional parent benzoic acid (CHEBI:30746)
3,4-dimethoxybenzoic acid (CHEBI:296881) has parent hydride benzoic acid (CHEBI:30746)
carboxy-PTIO (CHEBI:90702) is a benzoic acid (CHEBI:30746)
benzoate (CHEBI:16150) is conjugate base of benzoic acid (CHEBI:30746)
benzoyl group (CHEBI:22733) is substituent group from benzoic acid (CHEBI:30746)
benzoyloxy group (CHEBI:48543) is substituent group from benzoic acid (CHEBI:30746)
IUPAC Name
benzoic acid
Synonyms Sources
acide benzoïque ChEBI
Aromatic carboxylic acid KEGG COMPOUND
Benzenecarboxylic acid KEGG COMPOUND
Benzeneformic acid HMDB
Benzenemethanoic acid HMDB
Benzoesäure ChEBI
Benzoic acid KEGG COMPOUND
BENZOIC ACID PDBeChem
Dracylic acid KEGG COMPOUND
E210 ChEBI
Phenylcarboxylic acid HMDB
Phenylformic acid KEGG COMPOUND
Database Links Databases
4664 DrugCentral
BENZOATE MetaCyc
Benzoic_Acid Wikipedia
BEZ PDBeChem
C00000207 KNApSAcK
C00180 KEGG COMPOUND
C00539 KEGG COMPOUND
D00038 KEGG DRUG
DB03793 DrugBank
HMDB0001870 HMDB
LSM-37118 LINCS
YMDB02301 YMDB
View more database links
Registry Numbers Types Sources
2946 Gmelin Registry Number Gmelin
636131 Reaxys Registry Number Reaxys
636131 Beilstein Registry Number Beilstein
65-85-0 CAS Registry Number KEGG COMPOUND
65-85-0 CAS Registry Number NIST Chemistry WebBook
65-85-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16728954 PubMed citation Europe PMC
17439666 PubMed citation Europe PMC
18314336 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2014-01-27 For inhibition of triacylglycerol lipase by benzoic acid, see Xiong, J., Wu, J., Xu, G. and Yang, L., Chem. Eng. J., 2008, v138, pp 258-263.