| Primary information |
|---|
| ID | 20587 |
| Pubchem ID | NA |
| Name | Calcidiol |
| Description | Calcidiol; also known as 25(OH)D3 or rayaldee; 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. |
| Synonym | (3beta;5Z;7E)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI(3S;5Z;7E)-9;10-Secocholesta-5;7;10-triene-3;25-diolChEBI(5Z;7E)-(3S)-9;10-Secocholesta-5;7;10(19)-triene-3;25-diolChEBI25(OH)D3ChEBI25- |
| Molecular Weight | 400.6371 |
| Formula | C27H44O2 |
| IUPAC | (1S;3Z)-3-{2-[(1R;3aS;4E;7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol |
| SMILE | C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)CCC1=C |
| PDB ID | NA |
| KEGG | C01561 |
| HMDB ID | HMDB0003550 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | DB00146 |
| Receptor | NA |
| Reference | HMDB
|