Preferred Name |
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Synonyms |
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol Calcitriol calcitriol 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 Calcijex 1,25-DHCC |
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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. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_17823 |
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charge |
0 |
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database_cross_reference |
MeSH:D002117 NCIt:C330 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 |
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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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formula |
C27H44O3 |
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has_alternative_id |
CHEBI:13932 CHEBI:46435 CHEBI:3307 CHEBI:19209 |
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has_exact_synonym |
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol Calcitriol calcitriol |
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has_obo_namespace |
chebi_ontology |
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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 |
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has_role | ||
id |
CHEBI:17823 |
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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 |
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inchikey |
GMRQFYUYWCNGIN-NKMMMXOESA-N |
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label |
calcitriol |
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mass |
416.63646 |
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monoisotopicmass |
416.32905 |
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notation |
CHEBI:17823 |
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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 |
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subClassOf |