1.0 2011-04-11 17:01:48 UTC 2019-11-26 03:20:55 UTC FDB021822 Calcitriol The physiologically active form of vitamin D. It is formed primarily in the kidney by enzymatic hydroxylation of 25-hydroxycholecalciferol (calcifediol). Its production is stimulated by low blood calcium levels and parathyroid hormone. Calcitriol increases intestinal absorption of calcium and phosphorus, and in concert with parathyroid hormone increases bone resorption.--PubChem [HMDB] (1a,3b,5Z,7e)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol (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 (1α,3β,5Z,7e)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol (3b,5Z,7e)-9,10-Secocholesta-5,7,10(19)-trienetriol (5Z,7e)-(1S,3R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol 1-a-25-Dihydroxyvitamin D3 1-alpha-25-Dihydroxyvitamin D3 1-alpha,25-Dihydroxyvitamin D3 1-α-25-dihydroxyvitamin D3 1,25 Dihydroxycholecalciferol 1,25-DHCC 1,25-Dihydroxycholecalciferol 1,25-Dihydroxyvitamin D 1,25-Dihydroxyvitamin D3 1a,25-(OH)2D3 1a,25-Dihydroxycholecalciferol 1a,25-Dihydroxyvitamin D3 1a,25(OH)2D3 1alpha,25-Dihydroxycholecalciferol 1alpha,25-Dihydroxyvitamin D3 1alpha,25(OH)2D3 1α,25-dihydroxycholecalciferol 1α,25-dihydroxyvitamin D3 1α,25(OH)2D3 25-Dihydroxycholecalciferol 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol Calcijex Calcitriolum Decostriol Dihydroxyvitamin D3 Ro 21-5535 Rocaltrol Silkis Soltriol Topitriol Toptriol C27H44O3 416.6365 416.329045274 (5E)-5-{2-[(4Z)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (5E)-5-{2-[(4Z)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol 32222-06-3 CC(CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C/C=C1\CC(O)CC(O)C1=C 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+ GMRQFYUYWCNGIN-NGHQTVFFSA-N belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. Vitamin D and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols Triterpenoids Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Triterpenoid Solid logp 5.51 ALOGPS logs -4.80 ALOGPS solubility 6.67e-03 g/l ALOGPS logp 4.35 ChemAxon pka_strongest_acidic 14.39 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5E)-5-{2-[(4Z)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol ChemAxon average_mass 416.6365 ChemAxon mono_mass 416.329045274 ChemAxon smiles CC(CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C/C=C1\CC(O)CC(O)C1=C ChemAxon formula C27H44O3 ChemAxon 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+ ChemAxon inchikey GMRQFYUYWCNGIN-NGHQTVFFSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 126.53 ChemAxon polarizability 51.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB01903 VDX #<Reference:0x00005577b86d9360> #<Reference:0x00005577b86d91a8> #<Reference:0x00005577b86d8ff0> #<Reference:0x00005577b86d8e38> #<Reference:0x00005577b86d8c80> #<Reference:0x00005577b86d8ac8> #<Reference:0x00005577b86d8910> #<Reference:0x00005577b86d8758> #<Reference:0x00005577b86d85a0> #<Reference:0x00005577b86d83e8> #<Reference:0x00005577b86d8230> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columba 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 Animal Capra aegagrus hircus 9925 Domestic pig Type 1 Animal Sus scrofa domesticus 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus cuniculus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.000013 0.00001296 0.00001296 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus hemionus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823