1.02011-09-21 00:17:00 UTC2019-11-26 03:21:04 UTCFDB02262125-Hydroxyvitamin D29,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol. Biologically active metabolite of vitamin D2 which is more active in curing rickets than its parent. The compound is believed to attach to the same receptor as vitamin D2 and 25-hydroxyvitamin D3. [HMDB]25-Hydroxycalciferol25-Hydroxyergocalciferol9,10-Secoergosta-5,7,10(19),22-tetraene-3b,25-diolErcalcidiolC28H44O2412.6478412.334130652(1S,3Z)-3-{2-[(3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol(1S,3Z)-3-{2-[(3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol21343-40-8[H]C(=C[C@@](C)([H])C(C)(C)O)[C@](C)([H])C1CC[C@@]2([H])C(CCC[C@]12C)=C\C=C1\C[C@](O)([H])CCC1=CInChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12?,23-13-/t20-,21+,24+,25?,26+,28-/m1/s1KJKIIUAXZGLUND-FVIJHHJOSA-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 derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesVitamin D and derivativesAliphatic homopolycyclic compoundsCyclic alcohols and derivativesHydrocarbon derivativesSecondary alcoholsTertiary alcoholsTriterpenoidsAlcoholAliphatic homopolycyclic compoundCyclic alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSecondary alcoholTertiary alcoholTriterpenoidSolidlogp6.53logs-5.31solubility2.04e-03 g/llogp5.66pka_strongest_acidic18.38pka_strongest_basic-0.85iupac(1S,3Z)-3-{2-[(3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-olaverage_mass412.6478mono_mass412.334130652smiles[H]C(=C[C@@](C)([H])C(C)(C)O)[C@](C)([H])C1CC[C@@]2([H])C(CCC[C@]12C)=C\C=C1\C[C@](O)([H])CCC1=CformulaC28H44O2inchiInChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12?,23-13-/t20-,21+,24+,25?,26+,28-/m1/s1inchikeyKJKIIUAXZGLUND-FVIJHHJOSA-Npolar_surface_area40.46refractivity130.65polarizability50.87rotatable_bond_count5acceptor_count2donor_count2physiological_charge0formal_charge0HMDB01438#<Reference:0x0000555673ff7b60>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Milk (Cow)Type 2specific0.0000030.0000030.000003mg/100 gMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823