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CHEBI:139278 - calcidiol 3-O-(β-D-glucuronate)
| Formula | C33H51O8 |
| Net Charge | -1 |
| Average Mass | 575.763 |
| Monoisotopic Mass | 575.35894 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CCC1=C |
| InChI | InChI=1S/C33H52O8/c1-19-10-13-23(40-31-28(36)26(34)27(35)29(41-31)30(37)38)18-22(19)12-11-21-9-7-17-33(5)24(14-15-25(21)33)20(2)8-6-16-32(3,4)39/h11-12,20,23-29,31,34-36,39H,1,6-10,13-18H2,2-5H3,(H,37,38)/p-1/b21-11+,22-12-/t20-,23+,24-,25+,26+,27+,28-,29+,31-,33-/m1/s1 |
| InChIKey | RYOQRDXVFJRWFJ-VIVSZJOJSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calcidiol 3-O-(β-D-glucuronate) (CHEBI:139278) has functional parent calcidiol (CHEBI:17933) |
| calcidiol 3-O-(β-D-glucuronate) (CHEBI:139278) is a seco-cholestane conjugate (CHEBI:167104) |
| calcidiol 3-O-(β-D-glucuronate) (CHEBI:139278) is a steroid glucosiduronic acid anion (CHEBI:136637) |
| calcidiol 3-O-(β-D-glucuronate) (CHEBI:139278) is conjugate base of calcidiol 3-O-(β-D-glucuronide) (CHEBI:139613) |
| Incoming Relation(s) |
| calcidiol 3-O-(β-D-glucuronide) (CHEBI:139613) is conjugate acid of calcidiol 3-O-(β-D-glucuronate) (CHEBI:139278) |
| IUPAC Name |
|---|
| (1S,3Z)-3-[(2E)-2-{(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexyl β-D-glucopyranosiduronate |
| Synonyms | Source |
|---|---|
| calcidiol 3-O-(β-D-glucuronide)(1−) | SUBMITTER |
| 25-hydroxyvitamin D3 3-O-(β-D-glucuronate) | ChEBI |
| calcidiol 3-O-(β-D-glucuronide) | ChEBI |
| calcidiol 3-O-(β-D-glucuronide)(1−) | ChEBI |
| 25-hydroxyvitamin D3 3-O-(β-D-glucuronide)(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| calcidiol 3-O-(β-D-glucuronide) | UniProt |
| Citations |
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