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CHEBI:137961 - 4-hydroxyestrone 4-O-(β-D-glucuronide)
| Formula | C24H30O9 |
| Net Charge | 0 |
| Average Mass | 462.495 |
| Monoisotopic Mass | 462.18898 |
| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3CC[C@@]21[H] |
| InChI | InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1 |
| InChIKey | XSEHSKUBWMKIFT-ATASCAFHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) has functional parent 4-hydroxyestrone (CHEBI:87602) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a 17-oxo steroid (CHEBI:19168) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a 3-hydroxy steroid (CHEBI:36834) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a steroid glucosiduronic acid (CHEBI:26763) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is conjugate acid of 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) |
| Incoming Relation(s) |
| 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is conjugate base of 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) |
| IUPAC Name |
|---|
| 3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 4-OHE1 4G | ChEBI |
| 4-hydroxyestrone 4-O-(β-D-glucuronic acid) | ChEBI |
| 4-hydroxyestrone 4-β-glucuronide | ChEBI |
| 4-hydroxyestrone 4-O-glucuronide | ChEBI |
| 4-hydroxyestrone 4-glucuronide | ChEBI |
| 4-hydroxyestrone 4-β-D-glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24366853 | Reaxys |