EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H6O5S |
| Net Charge | 0 |
| Average Mass | 190.176 |
| Monoisotopic Mass | 189.99359 |
| SMILES | O=S(=O)(O)Oc1ccc(O)cc1 |
| InChI | InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10) |
| InChIKey | FPXPQMOQWJZYBL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carassius auratus (ncbitaxon:7957) | - | PubMed (6880243) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quinol sulfate (CHEBI:71062) has functional parent hydroquinone (CHEBI:17594) |
| quinol sulfate (CHEBI:71062) has role human xenobiotic metabolite (CHEBI:76967) |
| quinol sulfate (CHEBI:71062) has role marine xenobiotic metabolite (CHEBI:83399) |
| quinol sulfate (CHEBI:71062) is a aryl sulfate (CHEBI:37919) |
| quinol sulfate (CHEBI:71062) is a phenols (CHEBI:33853) |
| quinol sulfate (CHEBI:71062) is conjugate acid of quinol sulfate(1−) (CHEBI:133073) |
| Incoming Relation(s) |
| quinol sulfate(1−) (CHEBI:133073) is conjugate base of quinol sulfate (CHEBI:71062) |
| IUPAC Name |
|---|
| 4-hydroxyphenyl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 1,4-Benzenediol, mono(hydrogen sulfate) | ChemIDplus |
| Hydroquinone mono(hydrogen sulfate) | ChemIDplus |
| hydroquinone monosulfate | ChEBI |
| hydroquinone sulfate | ChEBI |
| quinol monosulfate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2050080 | Reaxys |
| CAS:17438-29-8 | ChemIDplus |
| Citations |
|---|