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CHEBI:138022 - 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)
| 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-JKNXCXBISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) has functional parent 5α-androstane-3β,17β-diol (CHEBI:18329) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a 3β-hydroxy steroid (CHEBI:36836) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a steroid glucosiduronic acid (CHEBI:26763) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) is conjugate acid of 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) |
| Incoming Relation(s) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) is conjugate base of 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide) (CHEBI:138022) |
| IUPAC Name |
|---|
| 3β-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 5α-androstane 3β,17β-diol 17-O-glucuronide | ChEBI |
| 5α-androstane-3β,17β-diol 17-β-D-glucuronide | ChEBI |
| 5α-androstane-3β,17β-diol 17-β-glucuronide | ChEBI |
| 5α-androstane-3β,17β-diol 17-glucuronide | ChEBI |
| (3β,5α,17β)-3-hydroxyandrostan-17-yl β-D-glucopyranosiduronic acid | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24460955 | Reaxys |