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CHEBI:136981 - 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−)
| Formula | C25H39O8 |
| Net Charge | -1 |
| Average Mass | 467.579 |
| Monoisotopic Mass | 467.26504 |
| 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)/p-1/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 |
| InChIKey | ZJYZOWMDMWQJIV-JKNXCXBISA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) is a monocarboxylic acid anion (CHEBI:35757) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| 5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)(1−) (CHEBI:136981) is a β-D-glucosiduronate (CHEBI:83411) |
| 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) |
| Incoming Relation(s) |
| 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) |
| IUPAC Name |
|---|
| 3β-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| 5α-androstane-3β,17β-diol 17-β-D-glucuronide(1−) | ChEBI |
| 5α-androstane-3β,17β-diol 17-O-glucuronide(1−) | ChEBI |
| 5α-androstane-3β,17β-diol 17-glucuronide(1−) | ChEBI |
| 5α-androstane-3β,17β-diol 17-β-glucuronide(1−) | ChEBI |
| (3β,5α,17β)-3-hydroxyandrostan-17-yl β-D-glucopyranosiduronate | IUPAC |
| UniProt Name | Source |
|---|---|
| 3β-hydroxy-5α-androstane 17-O-(β-D-glucuronate) | UniProt |