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CHEBI:136976 - 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−)
| Formula | C25H33O9 |
| Net Charge | -1 |
| Average Mass | 477.530 |
| Monoisotopic Mass | 477.21301 |
| SMILES | [H][C@@]12CCc3c(ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c3OC)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] |
| InChI | InChI=1S/C25H34O9/c1-25-10-9-12-11-5-7-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)21(32-2)14(11)4-3-13(12)15(25)6-8-17(25)26/h5,7,12-13,15,17-20,22,24,26-29H,3-4,6,8-10H2,1-2H3,(H,30,31)/p-1/t12-,13-,15+,17+,18+,19+,20-,22+,24-,25+/m1/s1 |
| InChIKey | KBFMKDGMUPKRND-UTXOSXIHSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is a monocarboxylic acid anion (CHEBI:35757) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is a β-D-glucosiduronate (CHEBI:83411) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is conjugate base of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) |
| Incoming Relation(s) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is conjugate acid of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) |
| IUPAC Name |
|---|
| 17β-hydroxy-4-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| 4-MeOE2 3G(1−) | SUBMITTER |
| 4-methoxy-17β-estradiol 3-glucuronide(1−) | ChEBI |
| 4-methoxy-17β-estradiol 3-β-glucuronide(1−) | ChEBI |
| 4-methoxyestradiol 3-O-glucuronide(1−) | ChEBI |
| 4-methoxy-17β-estradiol 3-β-D-glucuronide(1−) | ChEBI |
| 4-methoxy-17β-estradiol 3-O-glucuronide(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronate) | UniProt |
| Citations |
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