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CHEBI:86320 - 1α,25-dihydroxyvitamin D2
| Formula | C28H44O3 |
| Net Charge | 0 |
| Average Mass | 428.657 |
| Monoisotopic Mass | 428.32905 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
| InChI | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1 |
| InChIKey | ZGLHBRQAEXKACO-XJRQOBMKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (15465040) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. |
| Applications: | nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) has functional parent vitamin D2 (CHEBI:28934) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role bone density conservation agent (CHEBI:50646) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role human xenobiotic metabolite (CHEBI:76967) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) has role nutraceutical (CHEBI:50733) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a hydroxycalciol (CHEBI:47042) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a seco-ergostane (CHEBI:36819) |
| 1α,25-dihydroxyvitamin D2 (CHEBI:86320) is a vitamin D (CHEBI:27300) |
| Synonyms | Source |
|---|---|
| 1,25-Dihydroxycalciferol | HMDB |
| 1,25-Dihydroxyergocalciferol | HMDB |
| 1,25-Dihydroxyvitamin D2 | HMDB |
| 1alpha,25-Dihydroxyergocalciferol | ChEBI |
| 1alpha,25-Dihydroxyvitamin D2 | ChEBI |
| 1α,25-dihydroxycalciferol | HMDB |
| UniProt Name | Source |
|---|---|
| 1α,25-dihydroxyvitamin D2 | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006225 | HMDB |
| LMST03010040 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5635017 | Reaxys |
| CAS:60133-18-8 | ChemIDplus |
| Citations |
|---|