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CHEBI:133505 - etiocholanolone 3-glucuronide(1−)
| Formula | C25H37O8 |
| Net Charge | -1 |
| Average Mass | 465.563 |
| Monoisotopic Mass | 465.24939 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C2 |
| InChI | InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/p-1/t12-,13+,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1 |
| InChIKey | VFUIRAVTUVCQTF-GYFJWSTRSA-M |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. 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) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human blood serum metabolite (CHEBI:85234) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human urinary metabolite (CHEBI:84087) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human xenobiotic metabolite (CHEBI:76967) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role marine xenobiotic metabolite (CHEBI:83399) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is a carbohydrate acid derivative anion (CHEBI:63551) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is a monocarboxylic acid anion (CHEBI:35757) |
| etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is conjugate base of etiocholanolone 3-glucuronide (CHEBI:133504) |
| Incoming Relation(s) |
| etiocholanolone 3-glucuronide (CHEBI:133504) is conjugate acid of etiocholanolone 3-glucuronide(1−) (CHEBI:133505) |
| IUPAC Name |
|---|
| 17-oxo-5β-androstan-3β-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| etiocholanolone 3-O-β-D-glucuronide(1−) | ChEBI |
| etiocholanolone 3-β-glucuronide(1−) | ChEBI |
| etiocholanolone glucuronide(1−) | ChEBI |
| etiocholanolone 3-β-D-glucuronide(1−) | ChEBI |
| (3β,5β)-17-oxoandrostan-3-yl β-D-glucopyranosiduronate | IUPAC |
| etiocholanolone 3-glucosiduronate | ChEBI |