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CHEBI:133517 - 5α-androstane-3α,17β-diol 17-glucosiduronic acid
| Formula | C25H40O8 |
| Net Charge | 0 |
| Average Mass | 468.587 |
| Monoisotopic Mass | 468.27232 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2 |
| InChI | InChI=1S/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 |
| InChIKey | ZJYZOWMDMWQJIV-WWLGJQRMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) has functional parent 5α-androstane-3α,17β-diol (CHEBI:36713) |
| 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) is a 3α-hydroxy steroid (CHEBI:36835) |
| 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) is a steroid glucosiduronic acid (CHEBI:26763) |
| 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) is conjugate acid of 5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519) |
| Incoming Relation(s) |
| 5α-androstane-3α,17β-diol 17-glucosiduronate (CHEBI:133519) is conjugate base of 5α-androstane-3α,17β-diol 17-glucosiduronic acid (CHEBI:133517) |
| IUPAC Name |
|---|
| 3α-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 5α-androstane-3α,17β-diol 17-glucuronoside | ChEBI |
| 5α-androstane-3α,17β-diol 17-glucuronide | ChEBI |
| (3α,5α,17β)-3-hydroxyandrostan-17-yl β-D-glucopyranosiduronic acid | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6014767 | Reaxys |