loading...| Preferred Name | calcitriol | |
| Synonyms |
calcitriolum (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol 1alpha,25-dihydroxyvitamin D3 Decostriol 1alpha,25-dihydroxycholecalciferol Rocaltrol 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL 1alpha,25(OH)2D3 (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol 1-alpha-25-Dihydroxyvitamin D3 calcitriol Calcijex 1,25-DHCC (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol Calcitriol |
|
| Definitions |
A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17823 |
|
| alternative label |
calcitriolum (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol 1alpha,25-dihydroxyvitamin D3 Decostriol 1alpha,25-dihydroxycholecalciferol Rocaltrol 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL 1alpha,25(OH)2D3 (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol 1-alpha-25-Dihydroxyvitamin D3 calcitriol Calcijex 1,25-DHCC (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol Calcitriol |
|
| charge |
0 |
|
| database_cross_reference |
CAS:32222-06-3 PDBeChem:VDX KEGG:C01673 Wikipedia:Calcitriol DrugBank:DB00136 Drug_Central:466 PMID:22905919 PMID:23103122 Reaxys:2227647 LIPID_MAPS_instance:LMST03020258 PMID:6687801 PMID:20599255 PMID:10217585 PMID:23144765 PMID:15928596 Beilstein:2227647 MetaCyc:CALCITRIOL PMID:19429426 KEGG:D00129 |
|
| definition |
A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. |
|
| formula |
C27H44O3 |
|
| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_38807 http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_75771 http://purl.obolibrary.org/obo/CHEBI_50748 |
|
| has exact synonym |
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol Calcitriol calcitriol |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50846 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_38807 http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_75771 http://purl.obolibrary.org/obo/CHEBI_50748 |
|
| has_alternative_id |
CHEBI:13932 CHEBI:46435 CHEBI:3307 CHEBI:19209 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
calcitriolum (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol 1alpha,25-dihydroxyvitamin D3 Decostriol 1alpha,25-dihydroxycholecalciferol Rocaltrol 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL 1alpha,25(OH)2D3 (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol 1-alpha-25-Dihydroxyvitamin D3 calcitriol Calcijex 1,25-DHCC |
|
| id |
CHEBI:17823 |
|
| in_subset | ||
| 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 |
|
| label |
calcitriol |
|
| mass |
416.63646 |
|
| monoisotopicmass |
416.32905 |
|
| notation |
CHEBI:17823 |
|
| note |
A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. |
|
| preferred label |
calcitriol |
|
| prefLabel |
calcitriol |
|
| smiles |
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_27136 |