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CHEBI:16318 - 4-nitrocatechol
| Formula | C6H5NO4 |
| Net Charge | 0 |
| Average Mass | 155.109 |
| Monoisotopic Mass | 155.02186 |
| SMILES | O=[N+]([O-])c1ccc(O)c(O)c1 |
| InChI | InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H |
| InChIKey | XJNPNXSISMKQEX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. lipoxygenase inhibitor A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-nitrocatechol (CHEBI:16318) has role human xenobiotic metabolite (CHEBI:76967) |
| 4-nitrocatechol (CHEBI:16318) has role lipoxygenase inhibitor (CHEBI:35856) |
| 4-nitrocatechol (CHEBI:16318) is a C-nitro compound (CHEBI:35716) |
| 4-nitrocatechol (CHEBI:16318) is a catechols (CHEBI:33566) |
| 4-nitrocatechol (CHEBI:16318) is conjugate acid of 2-hydroxy-4-nitrophenolate (CHEBI:57730) |
| Incoming Relation(s) |
| 2-hydroxy-5-nitrophenyl hydrogen sulfate (CHEBI:41733) has functional parent 4-nitrocatechol (CHEBI:16318) |
| 2-hydroxy-4-nitrophenolate (CHEBI:57730) is conjugate base of 4-nitrocatechol (CHEBI:16318) |
| IUPAC Name |
|---|
| 4-nitrobenzene-1,2-diol |
| Synonyms | Source |
|---|---|
| 4-Nitrocatechol | KEGG COMPOUND |
| 4-Nitropyrocatechol | ChemIDplus |
| 1,2-Dihydroxy-4-nitrobenzene | UM-BBD |
| Citations |
|---|