EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:1395 - 3,5-dibromo-4-hydroxybenzoic acid
| Formula | C7H4Br2O3 |
| Net Charge | 0 |
| Average Mass | 295.914 |
| Monoisotopic Mass | 293.85272 |
| SMILES | O=C(O)c1cc(Br)c(O)c(Br)c1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 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 |
| Citations |
|---|