EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:137702 - 17-epiestriol 17-O-(β-D-glucuronide)
| Formula | C24H32O9 |
| Net Charge | 0 |
| Average Mass | 464.511 |
| Monoisotopic Mass | 464.20463 |
| 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)[C@H](O)C[C@@]21[H] |
| InChI | InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23+,24+/m1/s1 |
| InChIKey | CZGFLAQOJPXVRV-SQFONMOTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) has functional parent 17-epiestriol (CHEBI:42156) |
| 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) is a steroid glucosiduronic acid (CHEBI:26763) |
| 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) is conjugate acid of 17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) |
| Incoming Relation(s) |
| 17-epiestriol 17-O-(β-D-glucuronide)(1−) (CHEBI:136883) is conjugate base of 17-epiestriol 17-O-(β-D-glucuronide) (CHEBI:137702) |
| IUPAC Name |
|---|
| 3,16α-dihydroxyestra-1(10),2,4-trien-17α-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| 16α,17α-estriol 17-O-(β-D-glucuronide) | ChEBI |
| 17-epiestriol 17-O-glucuronide | ChEBI |
| (16α,17α)-3,16-dihydroxyestra-1(10),2,4-trien-17-yl β-D-glucopyranosiduronic acid | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:23416851 | Reaxys |
| Citations |
|---|