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CHEBI:139274 - calcitriol 25-O-(β-D-glucuronate)
| Formula | C33H51O9 |
| Net Charge | -1 |
| Average Mass | 591.762 |
| Monoisotopic Mass | 591.35386 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
| InChI | InChI=1S/C33H52O9/c1-18(8-6-14-32(3,4)42-31-28(38)26(36)27(37)29(41-31)30(39)40)23-12-13-24-20(9-7-15-33(23,24)5)10-11-21-16-22(34)17-25(35)19(21)2/h10-11,18,22-29,31,34-38H,2,6-9,12-17H2,1,3-5H3,(H,39,40)/p-1/b20-10+,21-11-/t18-,22-,23-,24+,25+,26+,27+,28-,29+,31+,33-/m1/s1 |
| InChIKey | UBEXJJQDSPZXNL-BHNPUNFPSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) has functional parent calcitriol (CHEBI:17823) |
| calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is a seco-cholestane conjugate (CHEBI:167104) |
| calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) is conjugate base of calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) |
| Incoming Relation(s) |
| calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) is conjugate acid of calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) |
| IUPAC Name |
|---|
| (6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| 1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronide)(1−) | SUBMITTER |
| 1α,25-dihydroxyvitamin D3 25-O-(β-D-glucuronate) | ChEBI |
| (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diol-25-yl β-D-glucopyranosiduronate | ChEBI |
| UniProt Name | Source |
|---|---|
| calcitriol 25-O-(β-D-glucuronide) | UniProt |
| Citations |
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