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CHEBI:140242 - 3-bromo-4,5-dihydroxybenzoic acid
| Formula | C7H5BrO4 |
| Net Charge | 0 |
| Average Mass | 233.017 |
| Monoisotopic Mass | 231.93712 |
| SMILES | O=C(O)c1cc(O)c(O)c(Br)c1 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudoalteromonas luteoviolacea (ncbitaxon:1353533) | - | PubMed (24974229) | Strain: 2ta16 |
| Pseudoalteromonas phenolica (ncbitaxon:1315281) | - | PubMed (24974229) | Strain: O-BC30 |
| Rhodomela confervoides (ncbitaxon:35163) | - | PubMed (12662116) |
| 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. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 5-Bromo-3,4-dihydroxybenzoic acid | ChemIDplus |
| 5-Bromoprotocatechuic acid | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| CPD-20593 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2368710 | Reaxys |
| CAS:61203-46-1 | ChemIDplus |
| Citations |
|---|