CHEBI:1395 - 3,5-dibromo-4-hydroxybenzoic acid

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ChEBI Name 3,5-dibromo-4-hydroxybenzoic acid
Definition A monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H4Br2O3
Net Charge 0
Average Mass 295.91286
Monoisotopic Mass 293.85272
InChI InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
SMILES OC(=O)c1cc(Br)c(O)c(Br)c1
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): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent 2,6-dibromophenol (CHEBI:19391)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has functional parent benzoic acid (CHEBI:30746)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) has role marine xenobiotic metabolite (CHEBI:83399)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is a dibromobenzene (CHEBI:37147)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is a monohydroxybenzoic acid (CHEBI:25389)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is conjugate acid of 3,5-dibromo-4-hydroxybenzoate (CHEBI:27544)
3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395) is conjugate acid of 3,5-dibromo-4-oxidobenzoate(2−) (CHEBI:57274)
Incoming 3,5-dibromo-4-hydroxybenzoate (CHEBI:27544) is conjugate base of 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395)
3,5-dibromo-4-oxidobenzoate(2−) (CHEBI:57274) is conjugate base of 3,5-dibromo-4-hydroxybenzoic acid (CHEBI:1395)
3,5-dibromo-4-hydroxybenzoic acid
Synonyms Sources
3,5-Dibrom-4-hydroxy-benzösäure ChEBI
3,5-dibromo-p-salicylic acid ChEBI
acide dibromo-3,5 hydroxy-4-benzoique ChEBI
bromoxynylbenzoic acid ChemIDplus
Manual Xref Database
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Registry Numbers Types Sources
2416147 Beilstein Registry Number Beilstein
2416147 Reaxys Registry Number Reaxys
3337-62-0 CAS Registry Number NIST Chemistry WebBook
3337-62-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
15589368 PubMed citation Europe PMC
Last Modified
29 October 2014
General Comments
2014-10-29 Metabolite of Bromoxynil
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag