1.0 2016-09-30 22:30:37 UTC 2020-06-04 20:45:48 UTC BMDB0000430 BMDB00430 24,25-Dihydroxyvitamin D 24,25-Dihydroxyvitamin D, also known as vitamin D or 24-hydroxycalcidiol, 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. 24,25-Dihydroxyvitamin D is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol 24,25-Dihydroxycholecalciferol 24,25-Dihydroxyvitamin 24,25-Dihydroxyvitamin D3 24-Hydroxycalcidiol Vitamin D 24,25 Dihydroxyvitamin D3 (24R)-24,25-Dihydroxyvitamin D3 24,25-Dihydroxyvitamin D 3, (3beta,5Z,7E,24R)-isomer 24,25 Dihydroxycholecalciferol Dihydroxyvitamin D3, 24,25 24R,25-Dihydroxycholecalciferol 24,25 Dihydroxyvitamin D 3 24,25-Dihydroxyvitamin D 3 24,25-Dihydroxy-vitamin D C27H44O3 416.6365 416.329045274 (6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol 24,25-dihydroxyvitamin 40013-87-4 C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1 FCKJYANJHNLEEP-OIMXRAFZSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives Vitamin D and derivatives 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 Aliphatic homopolycyclic compounds Solid logp 5.47 ALOGPS logs -4.69 ALOGPS logp 4.58 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol ChemAxon average_mass 416.6365 ChemAxon mono_mass 416.329045274 ChemAxon smiles C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C ChemAxon formula C27H44O3 ChemAxon inchi InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25?,27-/m1/s1 ChemAxon inchikey FCKJYANJHNLEEP-OIMXRAFZSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 126.42 ChemAxon polarizability 50.98 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15744 Specdb::CMs 37529 Specdb::CMs 147116 Specdb::CMs 1062359 Specdb::CMs 1062361 Specdb::CMs 1062363 Specdb::CMs 1062365 Specdb::CMs 1062367 Specdb::CMs 1062369 Specdb::CMs 1062371 Specdb::CMs 1062373 Specdb::CMs 1062375 Specdb::CMs 1062377 Specdb::CMs 1062379 Specdb::CMs 1062380 Specdb::CMs 1062382 Specdb::MsMs 300922 Specdb::MsMs 300923 Specdb::MsMs 300924 Specdb::MsMs 343309 Specdb::MsMs 343310 Specdb::MsMs 343311 Specdb::MsMs 2307192 Specdb::MsMs 2307193 Specdb::MsMs 2307194 Specdb::MsMs 2654492 Specdb::MsMs 2654493 Specdb::MsMs 2654494 Milk 2 IU/100 g Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013 Milk 0.000065 uM Reeve LE, Jorgensen NA, DeLuca HF: Vitamin D compounds in cows' milk. J Nutr. 1982 Apr;112(4):667-72. doi: 10.1093/jn/112.4.667. 6279806 Milk 0.0001 +/- 0.00001 uM Received 4,000 iu/day supplement of cholecalciferol Hollis BW, Roos BA, Draper HH, Lambert PW: Vitamin D and its metabolites in human and bovine milk. J Nutr. 1981 Jul;111(7):1240-8. doi: 10.1093/jn/111.7.1240. 6788913 Milk 0.00009 +/- 0.00002 uM Hollis BW, Roos BA, Draper HH, Lambert PW: Vitamin D and its metabolites in human and bovine milk. J Nutr. 1981 Jul;111(7):1240-8. doi: 10.1093/jn/111.7.1240. 6788913 FDB112199 17215953 89324 12895043 5419 Reeve LE, Jorgensen NA, DeLuca HF: Vitamin D compounds in cows' milk. J Nutr. 1982 Apr;112(4):667-72. doi: 10.1093/jn/112.4.667. 6279806 Hollis BW, Roos BA, Draper HH, Lambert PW: Vitamin D and its metabolites in human and bovine milk. J Nutr. 1981 Jul;111(7):1240-8. doi: 10.1093/jn/111.7.1240. 6788913 Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013 BMDBP02570 Vitamin D-binding protein Q3MHN5 GC Enzyme BMDBP02571 Chromatin assembly factor 1 subunit A A6QLA6 CHAF1A Enzyme BMDBP02572 TOB2 protein A4FUY5 TOB2 Enzyme BMDBP02573 Calbindin P04467 CALB1 Enzyme BMDBP02574 SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 Q5BIN2 SMARCB1 Enzyme BMDBP02575 SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 1 Q2TBN1 SMARCD1 Enzyme BMDBP02576 Protein S100-G P02633 S100G Enzyme