3,4-dihydroxybenzoic acid (CHEBI:36062)

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ChEBI Name	3,4-dihydroxybenzoic acid

ChEBI ID	CHEBI:36062

Definition	A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:1380, CHEBI:41912, CHEBI:16798, CHEBI:19879, CHEBI:20270, CHEBI:20272

Supplier Information	ChemicalBook:CB3305861, eMolecules:502573, ZINC000000013246

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Formula

C7H6O4

Net Charge

Average Mass

154.120

Monoisotopic Mass

154.02661

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

SMILES

C(=O)(C1=CC(=C(C=C1)O)O)O

Metabolite of Species	Details
Ficus mucuso (NCBI:txid309328)	Found in fruit (BTO:0000486). Methanolic extract of air-dried and powdered figs(fruits) See: PubMed
Origanum vulgare (NCBI:txid39352)	Found in aerial part (BTO:0001658). 95% EtOH extract of dried and powdered aerial parts See: PubMed
Oryza sativa (NCBI:txid4530)	See: PubMed
Cordyceps sinensis (NCBI:txid72228)	Found in mycelium (BTO:0001436). Ethanolic extract of dried mycelia See: PubMed
Alpinia (NCBI:txid94326)	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):	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(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	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

Citations

Last Modified

05 July 2016