| Primary information |
|---|
| ID | 20522 |
| Pubchem ID | 12918533 |
| Name | Calcitroic acid |
| Description | Calcitroic acid (1 alpha-hydroxy-23 carboxy-24;25;26;27-tetranorvitamin D(3)) is a metabolite of 1 alpha; 25-dihydroxyvitamin D(3) (calcitriol). It is soluble in water; and is excreted in urine. This deactivation process involves a series of oxidation reactions at C24 and C23 leading to side-chain c |
| Synonym | Calcitroate;(3R)-3-[(1R;3AR;4E;7ar)- 4-[(2Z)-2-[(3R;5R)-3;5- dihydroxy-2-methylene-cyclohexylidene]ethylidene] -7a-methyl-2;3;3a;5;6;7-hexahydro-1H -inden-1-yl]butanoate;(3R)-3-[(1R;3AR;4E;7ar)- 4-[(2 |
| Molecular Weight | 374.5137 |
| Formula | C23H34O4 |
| IUPAC | (3R)-3-[(1R;3aS;4E;7aR)-4-{2-[(1E;3S;5R)-3;5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butanoic acid |
| SMILE | [H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CCCC2=C/C=C1C[C@@H](O)C[C@H](O)C1=C |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0006472 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|