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CHEBI:179730 - 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide
| 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]1OC(C(=O)O)[C@@H](O)C(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-/m0/s1 |
| InChIKey | VFUIRAVTUVCQTF-KTMONSPFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide (CHEBI:179730) is a steroid glucosiduronic acid (CHEBI:26763) |
| IUPAC Name |
|---|
| (3S,5S,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| LMST05010001 | LIPID MAPS |
| 24823402 | ChemSpider |