EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:30746 - benzoic acid
| Formula | C7H6O2 |
| Net Charge | 0 |
| Average Mass | 122.123 |
| Monoisotopic Mass | 122.03678 |
| SMILES | O=C(O)c1ccccc1 |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhododendron ferrugineum (ncbitaxon:49622) | leaf (BTO:0000713) | PubMed (21443171) | MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,p-anisic & benzoic acid mixture |
| Paeonia rockii subsp. rockii (ncbitaxon:459179) | root (BTO:0001188) | PubMed (21954959) | Isolated from chloroform soluble extract of air-dried and powdered roots |
| Piper sarmentosum (ncbitaxon:405319) | |||
| leaf (BTO:0000713) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| stem (BTO:0001300) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| inflorescence (BTO:0000628) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| twig (BTO:0001411) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| Stachylidium (ncbitaxon:796327) | - | PubMed (21162532) | Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220 |
| Chlamydomonas reinhardtii (ncbitaxon:3055) | - | PubMed (25515814) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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). 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). 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. 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). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. drug allergen Any drug which causes the onset of an allergic reaction. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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) |
| N-benzoyl-L-phenylalaninol (CHEBI:145107) 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) |
| 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-[(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)-4-nitrobenzoic acid (CHEBI:75334) 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) |
| 2,3-dichlorobenzoic acid (CHEBI:166845) 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-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746) |
| 2,4-dimethylbenzoic acid (CHEBI:64811) has functional parent benzoic acid (CHEBI:30746) |
| 2,4,6-trimethylbenzoic acid (CHEBI:64830) 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) |
| 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-bromo-4-hydroxybenzoic acid (CHEBI:140241) has functional parent benzoic acid (CHEBI:30746) |
| 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) 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-hydroxy-5-methoxybenzoic acid (CHEBI:16835) has functional parent benzoic acid (CHEBI:30746) |
| 3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) 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) |
| 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) |
| 3,4,5-trimethoxybenzoic acid (CHEBI:454991) 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-dichlorobenzoic acid (CHEBI:166846) 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) |
| 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-(β-D-glucosyloxy)benzoic acid (CHEBI:16741) 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-{[(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) |
| 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-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) |
| 5-chlorosalicylic acid (CHEBI:420128) has functional parent benzoic acid (CHEBI:30746) |
| 5-sulfosalicylic acid (CHEBI:68555) 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 chloride (CHEBI:82275) 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) |
| benzoyl-β-D-glucoside (CHEBI:141410) 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) |
| geranyl benzoate (CHEBI:156234) has functional parent benzoic acid (CHEBI:30746) |
| hexadecyl benzoate (CHEBI:145972) 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) |
| octyl benzoate (CHEBI:156236) has functional parent benzoic acid (CHEBI:30746) |
| pentafluorobenzoic acid (CHEBI:46796) has functional parent benzoic acid (CHEBI:30746) |
| phenethyl benzoate (CHEBI:156233) 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 | Source |
|---|---|
| Benzoic acid | KEGG COMPOUND |
| Benzenecarboxylic acid | KEGG COMPOUND |
| Phenylformic acid | KEGG COMPOUND |
| Dracylic acid | KEGG COMPOUND |
| BENZOIC ACID | PDBeChem |
| Benzoesäure | ChEBI |
| Citations |
|---|