EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:133576 - p-tolyl β-D-glucuronide(1−)
| Formula | C13H15O7 |
| Net Charge | -1 |
| Average Mass | 283.256 |
| Monoisotopic Mass | 283.08233 |
| 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)/p-1/t8-,9-,10+,11-,13+/m0/s1 |
| InChIKey | JPAUCQAJHLSMQW-XPORZQOISA-M |
| 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(1−) (CHEBI:133576) has role mouse metabolite (CHEBI:75771) |
| p-tolyl β-D-glucuronide(1−) (CHEBI:133576) has role rat metabolite (CHEBI:86264) |
| p-tolyl β-D-glucuronide(1−) (CHEBI:133576) is a carbohydrate acid derivative anion (CHEBI:63551) |
| p-tolyl β-D-glucuronide(1−) (CHEBI:133576) is a monocarboxylic acid anion (CHEBI:35757) |
| p-tolyl β-D-glucuronide(1−) (CHEBI:133576) is conjugate base of p-tolyl β-D-glucuronide (CHEBI:87986) |
| Incoming Relation(s) |
| p-tolyl β-D-glucuronide (CHEBI:87986) is conjugate acid of p-tolyl β-D-glucuronide(1−) (CHEBI:133576) |
| IUPAC Name |
|---|
| 4-methylphenyl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| p-tolyl β-D-glucuronidate | ChEBI |
| p-cresol β-D-glucuronide(1−) | ChEBI |
| p-cresol β-D-glucuronidate | ChEBI |
| p-cresyl β-D-glucuronidate | ChEBI |
| p-cresol glucuronidate | ChEBI |
| p-cresyl β-D-glucuronide(1−) | ChEBI |