loading...| Preferred Name |
calcidiol |
|
| Synonyms |
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcidiol calcidiol 25-Hydroxyvitamin D3 calcifediol (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol 25-hydroxyvitamin D3 Calcifediol anhydrous 25-hydroxycholecalciferol calcifediolum (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcifediol (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL 25(OH)D3 Rayaldee |
|
| Definitions |
A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17933 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:VDY KEGG:C01561 Drug_Central:464 PMID:18689406 PMID:9080330 Beilstein:4270041 PMID:22487892 PMID:23090338 LIPID_MAPS_instance:LMST03020246 PMID:16549446 CAS:19356-17-3 Wikipedia:Calcifediol PMID:22536761 Reaxys:4270041 DrugBank:DB00146 PMID:23566108 |
|
| definition |
A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. |
|
| formula |
C27H44O2 |
|
| has exact synonym |
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcidiol calcidiol |
|
| has related synonym |
25-Hydroxyvitamin D3 calcifediol (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol 25-hydroxyvitamin D3 Calcifediol anhydrous 25-hydroxycholecalciferol calcifediolum (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcifediol (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL 25(OH)D3 Rayaldee |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_75771 |
|
| has_alternative_id |
CHEBI:46387 CHEBI:19815 CHEBI:13931 CHEBI:3304 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:17933 |
|
| in_subset | ||
| inchi |
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 |
|
| inchikey |
JWUBBDSIWDLEOM-DTOXIADCSA-N |
|
| label |
calcidiol |
|
| mass |
400.63706 |
|
| monoisotopicmass |
400.33413 |
|
| notation |
CHEBI:17933 |
|
| prefLabel |
calcidiol |
|
| smiles |
[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73558 |