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CHEBI:136936 - 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−)
| Formula | C24H31O9 |
| Net Charge | -1 |
| Average Mass | 463.503 |
| Monoisotopic Mass | 463.19736 |
| SMILES | [H][C@@]12CCc3c(ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c3O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] |
| InChI | InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1 |
| InChIKey | HGCOILRQOIIUJW-ICTMVFLBSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a monocarboxylic acid anion (CHEBI:35757) |
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a β-D-glucosiduronate (CHEBI:83411) |
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is conjugate base of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) |
| Incoming Relation(s) |
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is conjugate acid of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) |
| IUPAC Name |
|---|
| 4,17β-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| 4-OHE2 3G(1−) | SUBMITTER |
| 4-hydroxy-17β-estradiol 3-β-glucuronide(1−) | ChEBI |
| 4-hydroxy-17β-estradiol 3-glucuronide(1−) | ChEBI |
| 4-hydroxy-17β-estradiol 3-(β-D-glucuronide)(1−) | ChEBI |
| (17β)-4,17-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate | IUPAC |
| UniProt Name | Source |
|---|---|
| 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronate) | UniProt |
| Citations |
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