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CHEBI:792 - 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid)
| Formula | C24H32O11S |
| Net Charge | 0 |
| Average Mass | 528.576 |
| Monoisotopic Mass | 528.16653 |
| SMILES | [H][C@@]12CCc3cc(OS(=O)(=O)O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H] |
| InChI | InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 |
| InChIKey | VRMSCBRLZUCJBX-QXYWQCSFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) is a steroid glucosiduronic acid (CHEBI:26763) |
| 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) is a steroid sulfate (CHEBI:16158) |
| Synonyms | Source |
|---|---|
| 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) | KEGG COMPOUND |
| Estradiol 17beta-glucuronide 3-sulfate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11289 | KEGG COMPOUND |
| HMDB0010358 | HMDB |