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

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ChEBI Name 3,5-dibromo-4-hydroxybenzoic acid
ChEBI ID CHEBI:1395
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
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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)
InChIKey PHWAJJWKNLWZGJ-UHFFFAOYSA-N
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.
View more via ChEBI Ontology
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)
IUPAC Name
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
DiBrHBz ChEBI
Manual Xref Database
C03925 KEGG COMPOUND
View more database links
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