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CHEBI:87986 - p-tolyl β-D-glucuronide
| Formula | C13H16O7 |
| Net Charge | 0 |
| Average Mass | 284.264 |
| Monoisotopic Mass | 284.08960 |
| SMILES | Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
| InChI | InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1 |
| InChIKey | JPAUCQAJHLSMQW-XPORZQOISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | - | MetaboLights (MTBLS171) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (15314235) |
| Roles Classification |
|---|
| Biological Roles: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| p-tolyl β-D-glucuronide (CHEBI:87986) has role mouse metabolite (CHEBI:75771) |
| p-tolyl β-D-glucuronide (CHEBI:87986) has role rat metabolite (CHEBI:86264) |
| p-tolyl β-D-glucuronide (CHEBI:87986) is a glucosiduronic acid (CHEBI:24302) |
| p-tolyl β-D-glucuronide (CHEBI:87986) is conjugate acid of p-tolyl β-D-glucuronide(1−) (CHEBI:133576) |
| Incoming Relation(s) |
| p-tolyl β-D-glucuronide(1−) (CHEBI:133576) is conjugate base of p-tolyl β-D-glucuronide (CHEBI:87986) |
| IUPAC Name |
|---|
| 4-methylphenyl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| p-Cresol glucuronide | HMDB |
| Cresyl glucuronide | HMDB |
| p-Cresyl glucuronide | HMDB |
| p-Cresylglucuronide | HMDB |
| Cresol glucuronide | HMDB |
| (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011686 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:30764 | Reaxys |
| CAS:17680-99-8 | ChemIDplus |
| Citations |
|---|