loading...| Preferred Name |
calcitriol |
|
| Synonyms |
calcitriolum (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol 1alpha,25-dihydroxyvitamin D3 C27H44O3 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 Calcitriol (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 (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 calcitriol Calcijex 1,25-DHCC |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_17823 |
|
| AHFScode |
88:16.00 |
|
| altId |
CHEBI:13932 CHEBI:46435 CHEBI:3307 CHEBI:19209 |
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| ATCCode |
D05AX03 A11CC04 |
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| blocks | ||
| CASRN |
32222-06-3 |
|
| DBBrand |
decostriol rocaltrol calcitriol oral solution calcijex |
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| DBname |
calcitriol |
|
| DBSynonym |
1,25-dihydroxycholecalciferol |
|
| 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. |
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| has pharmacological target | ||
| 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_38808 http://purl.obolibrary.org/obo/CHEBI_33229 http://purl.obolibrary.org/obo/CHEBI_50748 http://purl.obolibrary.org/obo/CHEBI_24621 |
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| 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 |
InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N |
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| induces | ||
| is metabolised by | ||
| label |
calcitriol |
|
| may interact with |
http://purl.obolibrary.org/obo/dinto_DB00169 http://purl.obolibrary.org/obo/CHEBI_59594 |
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| prefixIRI |
obo2:CHEBI_17823 |
|
| 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 C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
|
| Synonym |
calcitriolum (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol 1alpha,25-dihydroxyvitamin D3 C27H44O3 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 Calcitriol (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 (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 calcitriol Calcijex 1,25-DHCC |
|
| xref |
ChEMBL:163252 ChEBI:17823 PDBeChem:VDX Guide To Pharmacology:2779 CiteXplore:23103122 IUPHAR:2779 Wikipedia:Calcitriol KEGG COMPOUND:C01673 KEGG DRUG:D00129 CASRN:32222-06-3 CiteXplore:23144765 DrugBank:DB00136 CiteXplore:20599255 National Drug Code Directory:0004-0143-23 Wikipedia:http://en.wikipedia.org/wiki/Calcitriol CiteXplore:22905919 RxList:http://www.rxlist.com/cgi/generic2/calcitri.htm Reaxys:2227647 LIPID MAPS:LMST03020258 Beilstein:2227647 Drugs.com:http://www.drugs.com/cdi/calcitriol.html CiteXplore:15928596 MetaCyc:CALCITRIOL PDRhealth:http://www.pdrhealth.com/drug_info/nmdrugprofiles/nutsupdrugs/vit_0265.shtml Drugs Product Database (DPD):2245686 CiteXplore:10217585 CiteXplore:19429426 PharmGKB:PA448717 |
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| subClassOf |