| Primary information |
|---|
| ID | 20686 |
| Pubchem ID | NA |
| Name | Calcitriol |
| Description | Calcitriol; also known as rocaltrol or 1a;25(OH)2D3; belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone; usually secoergostane or secocholestane. Thus; calcitriol is considered to be a secosteroid li |
| Synonym | (1alpha;3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-triolChEBI(1S;3R;5Z;7E)-9;10-Secocholesta-5;7;10-triene-1;3;25-triolChEBI(5Z;7E)-(1S;3R)-9;10-Secocholesta-5;7;10(19)-triene-1;3;25-trio |
| Molecular Weight | 416.6365 |
| Formula | C27H44O3 |
| IUPAC | (1R;3S;5Z)-5-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1;3-diol |
| SMILE | C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=C |
| PDB ID | NA |
| KEGG | C01673 |
| HMDB ID | HMDB0001903 |
| Melting Point (Degree C) | 113 |
| Water Solubility | NA |
| Drugbank ID | DB00136 |
| Receptor | NA |
| Reference | HMDB
|