The Drug Ontology

Last uploaded: December 20, 2024
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Id http://purl.obolibrary.org/obo/CHEBI_17823
http://purl.obolibrary.org/obo/CHEBI_17823
Preferred Name

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.
Synonyms
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,25-dihydroxycholecalciferol
1alpha,25-dihydroxyvitamin D3
1-alpha-25-Dihydroxyvitamin D3
calcitriolum
(1alpha,3beta,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
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
1,25-DHCC
Calcijex
Decostriol
Rocaltrol
calcitriol
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
Calcitriol
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Type http://www.w3.org/2002/07/owl#Class

All Properties

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.
label
calcitriol
prefLabel
calcitriol
database_cross_reference
PMID:19429426
PMID:10217585
KEGG:D00129
Wikipedia:Calcitriol
PMID:6687801
PDBeChem:VDX
LIPID_MAPS_instance:LMST03020258
Reaxys:2227647
PMID:15928596
MetaCyc:CALCITRIOL
DrugBank:DB00136
PMID:23103122
KEGG:C01673
PMID:20599255
Drug_Central:466
PMID:22905919
CAS:32222-06-3
PMID:23144765
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notation
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
has_related_synonym
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,25-dihydroxycholecalciferol
1alpha,25-dihydroxyvitamin D3
1-alpha-25-Dihydroxyvitamin D3
calcitriolum
(1alpha,3beta,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
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
1,25-DHCC
Calcijex
Decostriol
Rocaltrol
calcitriol
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id
CHEBI:17823
charge
0
has_obo_namespace
chebi_ontology
formula
C27H44O3
subClassOf
inchikey
GMRQFYUYWCNGIN-NKMMMXOESA-N
mass
416.63646
monoisotopicmass
416.32905
has_alternative_id
CHEBI:19209
CHEBI:13932
CHEBI:46435
CHEBI:3307
type
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
has_RxCUI
1894
has role
has_exact_synonym
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
Calcitriol
calcitriol
has characteristic
alternative label
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,25-dihydroxycholecalciferol
1alpha,25-dihydroxyvitamin D3
1-alpha-25-Dihydroxyvitamin D3
calcitriolum
(1alpha,3beta,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
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
1,25-DHCC
Calcijex
Decostriol
Rocaltrol
calcitriol
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
Calcitriol
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