3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242)

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ChEBI Name	3-bromo-4,5-dihydroxybenzoic acid

ChEBI ID	CHEBI:140242

Definition	A dihydroxybenzoic acid that is 4,5-dihydroxybenzoic acid carrying an additional bromo substituent at position 3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H5BrO4

Net Charge

Average Mass

233.016

Monoisotopic Mass

231.93712

InChI

InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)

InChIKey

XCTQCHNCFZFEGN-UHFFFAOYSA-N

SMILES

C=1(C=C(C(=C(C1)Br)O)O)C(O)=O

Metabolite of Species	Details
Pseudoalteromonas phenolica (NCBI:txid1315281)	of strain O-BC30 See: PubMed
Pseudoalteromonas luteoviolacea (NCBI:txid1353533)	of strain 2ta16 See: PubMed
Rhodomela confervoides (NCBI:txid35163)	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. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) has functional parent benzoic acid (CHEBI:30746) 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) has role algal metabolite (CHEBI:84735) 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) has role marine xenobiotic metabolite (CHEBI:83399) 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) is a bromobenzenes (CHEBI:37149) 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) is a dihydroxybenzoic acid (CHEBI:23778) 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242) is conjugate acid of 3-bromo-4,5-dihydroxybenzoate (CHEBI:140211)

Incoming	3-bromo-4,5-dihydroxybenzoate (CHEBI:140211) is conjugate base of 3-bromo-4,5-dihydroxybenzoic acid (CHEBI:140242)

IUPAC Name

3-bromo-4,5-dihydroxybenzoic acid

Synonyms	Sources
5-Bromo-3,4-dihydroxybenzoic acid	ChemIDplus
5-Bromoprotocatechuic acid	ChemIDplus

Last Modified

23 February 2018