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CHEBI:36062 - 3,4-dihydroxybenzoic acid
| Formula | C7H6O4 |
| Net Charge | 0 |
| Average Mass | 154.121 |
| Monoisotopic Mass | 154.02661 |
| SMILES | O=C(O)c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
| InChIKey | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alpinia (ncbitaxon:94326) | - | PubMed (20973550) | |
| Cordyceps sinensis (ncbitaxon:72228) | mycelium (BTO:0001436) | PubMed (21848266) | Ethanolic extract of dried mycelia |
| Ficus mucuso (ncbitaxon:309328) | fruit (BTO:0000486) | PubMed (21619045) | Methanolic extract of air-dried and powdered figs(fruits) |
| Origanum vulgare (ncbitaxon:39352) | aerial part (BTO:0001658) | PubMed (20973550) | 95% EtOH extract of dried and powdered aerial parts |
| Oryza sativa (ncbitaxon:4530) | - | PubMed (20973550) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of procollagen-proline dioxygenase (EC 1.14.11.2). EC 1.1.1.25 (shikimate dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of shikimate dehydrogenase (EC 1.1.1.25). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has functional parent benzoic acid (CHEBI:30746) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has role antineoplastic agent (CHEBI:35610) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has role EC 1.1.1.25 (shikimate dehydrogenase) inhibitor (CHEBI:77484) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has role EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor (CHEBI:132365) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has role human xenobiotic metabolite (CHEBI:76967) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) has role plant metabolite (CHEBI:76924) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) is a catechols (CHEBI:33566) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) is a dihydroxybenzoic acid (CHEBI:23778) |
| 3,4-dihydroxybenzoic acid (CHEBI:36062) is conjugate acid of 3,4-dihydroxybenzoate (CHEBI:36241) |
| Incoming Relation(s) |
| 1-(3,4-dihydroxybenzoyl)-β-D-glucopyranose (CHEBI:136876) has functional parent 3,4-dihydroxybenzoic acid (CHEBI:36062) |
| ethyl 3,4-dihydroxybenzoate (CHEBI:132364) has functional parent 3,4-dihydroxybenzoic acid (CHEBI:36062) |
| methyl 3,4-dihydroxybenzoate (CHEBI:132366) has functional parent 3,4-dihydroxybenzoic acid (CHEBI:36062) |
| 3,4-dihydroxybenzoate (CHEBI:36241) is conjugate base of 3,4-dihydroxybenzoic acid (CHEBI:36062) |
| IUPAC Name |
|---|
| 3,4-dihydroxybenzoic acid |
| Synonyms | Source |
|---|---|
| 3,4-Dihydroxybenzoic acid | KEGG COMPOUND |
| 4,5-Dihydroxybenzoic acid | ChemIDplus |
| 4-Carboxy-1,2-dihydroxybenzene | ChemIDplus |
| Protocatechuic acid | KEGG COMPOUND |
| Protocatechuic acid | ChemIDplus |
| Protocatehuic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 3-4-DIHYDROXYBENZOATE | MetaCyc |
| C00002668 | KNApSAcK |
| C00230 | KEGG COMPOUND |
| DHB | PDBeChem |
| HMDB0001856 | HMDB |
| Protocatechuic_acid | Wikipedia |
| Citations |
|---|