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CHEBI:791 - 17β-estradiol 17-glucosiduronic acid
| Formula | C24H32O8 |
| Net Charge | 0 |
| Average Mass | 448.512 |
| Monoisotopic Mass | 448.20972 |
| SMILES | [H][C@@]12CCc3cc(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/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 |
| InChIKey | MTKNDAQYHASLID-QXYWQCSFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17β-estradiol 17-glucosiduronic acid (CHEBI:791) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is a 3-hydroxy steroid (CHEBI:36834) |
| 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is a steroid glucosiduronic acid (CHEBI:26763) |
| 17β-estradiol 17-glucosiduronic acid (CHEBI:791) is conjugate acid of 17β-estradiol 17-glucosiduronate (CHEBI:82961) |
| Incoming Relation(s) |
| 17β-estradiol 17-glucosiduronate (CHEBI:82961) is conjugate base of 17β-estradiol 17-glucosiduronic acid (CHEBI:791) |
| IUPAC Name |
|---|
| 3-hydroxyestra-1,3,5(10)-trien-17β-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 17beta-Estradiol 17-(beta-D-glucuronide) | KEGG COMPOUND |
| Estradiol-17beta-glucuronide | KEGG COMPOUND |
| Glucuronosylestradiol | KEGG COMPOUND |
| estra-1,3,5(10)-triene-3,17β-diol 17-D-glucuronoside | LIPID MAPS |
| Oestradiol-17beta-glucuronide | ChemIDplus |
| 17beta-Estradiol glucuronide | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C11237 | KEGG COMPOUND |
| LMST05010015 | LIPID MAPS |
| LMST05010025 | LIPID MAPS |
| HMDB0010317 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:64569 | Reaxys |
| CAS:1806-98-0 | KEGG COMPOUND |
| CAS:1806-98-0 | ChemIDplus |
| Citations |
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