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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 |
|---|---|---|---|
| Chlamydomonas reinhardtii (ncbitaxon:3055) | - | PubMed (25515814) | |
| 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) | |||
| stem (BTO:0001300) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| leaf (BTO:0000713) | 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) | |
| 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 |
| Stachylidium (ncbitaxon:796327) | - | PubMed (21162532) | Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220 |
| 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). 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. 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). 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. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | drug allergen Any drug which causes the onset of an allergic reaction. 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). |
| 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 |
|---|---|
| acide benzoïque | ChEBI |
| Aromatic carboxylic acid | KEGG COMPOUND |
| Benzenecarboxylic acid | KEGG COMPOUND |
| Benzeneformic acid | HMDB |
| Benzenemethanoic acid | HMDB |
| Benzoesäure | ChEBI |
| Citations |
|---|