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CHEBI:37451 - 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid
| Formula | C25H38O8 |
| Net Charge | 0 |
| Average Mass | 466.571 |
| Monoisotopic Mass | 466.25667 |
| 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)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1 |
| InChIKey | VFUIRAVTUVCQTF-SDHZCXLISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has functional parent 3α-hydroxy-5β-androstan-17-one (CHEBI:28195) |
| 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has role human metabolite (CHEBI:77746) |
| 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) has role mouse metabolite (CHEBI:75771) |
| 3α-hydroxy-5β-androstan-17-one 3-glucosiduronic acid (CHEBI:37451) is a steroid glucosiduronic acid (CHEBI:26763) |
| IUPAC Name |
|---|
| 17-oxo-5β-androstan-3α-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| Etiocholan-3alpha-ol-17-one 3-glucuronide | KEGG COMPOUND |
| etiocholan-3alpha-ol-17-one 3-glucuronoside | ChEBI |
| 3α-hydroxyetiocholan-17-one 3-glucosiduronic acid | ChEBI |
| 3α-hydroxyetiocholan-17-one 3-glucuronide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C11136 | KEGG COMPOUND |
| LMST05010014 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:3602-09-3 | KEGG COMPOUND |