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CHEBI:140241 - 3-bromo-4-hydroxybenzoic acid
| Formula | C7H5BrO3 |
| Net Charge | 0 |
| Average Mass | 217.018 |
| Monoisotopic Mass | 215.94221 |
| SMILES | O=C(O)c1ccc(O)c(Br)c1 |
| InChI | InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
| InChIKey | XMEQDAIDOBVHEK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acinetobacter sp. (ncbitaxon:869997) | - | PubMed (21674164) | Strain: XB2 |
| Leathesia (ncbitaxon:27962) | - | PubMed (15714798) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) has functional parent benzoic acid (CHEBI:30746) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) has role algal metabolite (CHEBI:84735) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) is a bromobenzenes (CHEBI:37149) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) is a monohydroxybenzoic acid (CHEBI:25389) |
| 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) is conjugate acid of 3-bromo-4-hydroxybenzoate (CHEBI:140203) |
| Incoming Relation(s) |
| 3-bromo-4-hydroxybenzoate (CHEBI:140203) is conjugate base of 3-bromo-4-hydroxybenzoic acid (CHEBI:140241) |
| IUPAC Name |
|---|
| 3-bromo-4-hydroxybenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| CPD-20550 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2086166 | Reaxys |
| CAS:14348-41-5 | ChemIDplus |
| Citations |
|---|