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CHEBI:17823 - calcitriol
| Formula | C27H44O3 |
| Net Charge | 0 |
| Average Mass | 416.646 |
| Monoisotopic Mass | 416.32905 |
| 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[C@H](O)C1=C |
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 |
| InChIKey | GMRQFYUYWCNGIN-NKMMMXOESA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. calcium channel modulator A membrane transport modulator that is able to regulate intracellular calcium levels. calcium channel agonist Agents that increase calcium influx into calcium channels of excitable tissues. immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. 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: | 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. 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. immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. antipsoriatic A drug used to treat psoriasis. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calcitriol (CHEBI:17823) has role antineoplastic agent (CHEBI:35610) |
| calcitriol (CHEBI:17823) has role antipsoriatic (CHEBI:50748) |
| calcitriol (CHEBI:17823) has role bone density conservation agent (CHEBI:50646) |
| calcitriol (CHEBI:17823) has role calcium channel agonist (CHEBI:38807) |
| calcitriol (CHEBI:17823) has role calcium channel modulator (CHEBI:38808) |
| calcitriol (CHEBI:17823) has role hormone (CHEBI:24621) |
| calcitriol (CHEBI:17823) has role human metabolite (CHEBI:77746) |
| calcitriol (CHEBI:17823) has role immunomodulator (CHEBI:50846) |
| calcitriol (CHEBI:17823) has role metabolite (CHEBI:25212) |
| calcitriol (CHEBI:17823) has role mouse metabolite (CHEBI:75771) |
| calcitriol (CHEBI:17823) has role nutraceutical (CHEBI:50733) |
| calcitriol (CHEBI:17823) is a D3 vitamins (CHEBI:73558) |
| calcitriol (CHEBI:17823) is a hydroxycalciol (CHEBI:47042) |
| calcitriol (CHEBI:17823) is a triol (CHEBI:27136) |
| Incoming Relation(s) |
| 18-acetoxy-1α,25-dihydroxyvitamin D3 (CHEBI:73917) has functional parent calcitriol (CHEBI:17823) |
| 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927) has functional parent calcitriol (CHEBI:17823) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) has functional parent calcitriol (CHEBI:17823) |
| AMCR277A (CHEBI:139026) has functional parent calcitriol (CHEBI:17823) |
| AMCR277B (CHEBI:139027) has functional parent calcitriol (CHEBI:17823) |
| calcitriol 25-O-(β-D-glucuronate) (CHEBI:139274) has functional parent calcitriol (CHEBI:17823) |
| calcitriol 25-O-(β-D-glucuronide) (CHEBI:139600) has functional parent calcitriol (CHEBI:17823) |
| calcitriol 26,23-lactone (CHEBI:47837) has functional parent calcitriol (CHEBI:17823) |
| IUPAC Name |
|---|
| (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol |
| INNs | Source |
|---|---|
| calcitriol | ChEBI |
| calcitriolum | ChEBI |
| calcitriol | WHO MedNet |
| calcitriol | WHO MedNet |
| Synonyms | Source |
|---|---|
| Calcitriol | KEGG COMPOUND |
| 1α,25-dihydroxycholecalciferol | JCBN |
| (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | JCBN |
| 1,25-DHCC | ChemIDplus |
| (1α,3β,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol | ChemIDplus |
| 1α,25-dihydroxyvitamin D3 | ChemIDplus |
| Brand Names | Source |
|---|---|
| Rocaltrol | KEGG DRUG |
| Calcijex | DrugBank |
| Decostriol | DrugBank |
| UniProt Name | Source |
|---|---|
| calcitriol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C01673 | KEGG COMPOUND |
| VDX | PDBeChem |
| LMST03020258 | LIPID MAPS |
| D00129 | KEGG DRUG |
| DB00136 | DrugBank |
| Calcitriol | Wikipedia |
| CALCITRIOL | MetaCyc |
| 466 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2227647 | Reaxys |
| CAS:32222-06-3 | KEGG COMPOUND |
| CAS:32222-06-3 | ChemIDplus |
| Citations |
|---|