1.0 2011-09-21 00:27:31 UTC 2018-05-28 18:36:20 UTC FDB023285 22beta-Hydroxycholesterol 22beta-Hydroxycholesterol is a substrate for DCC-interacting protein 13 beta. [HMDB] (22R)-22-Hydroxycholesterol (3b,22R)-Cholest-5-ene-3,22-diol (3beta,22R)-Cholest-5-ene-3,22-diol (3β,22R)-cholest-5-ene-3,22-diol (R)-Mevalonate 22b-Hydroxycholesterol 22beta-Hydroxycholesterol 22R-Hydroxycholesterol 22β-hydroxycholesterol Cholest-5-en-3b,22R-diol Cholest-5-en-3beta,22R-diol Cholest-5-en-3β,22R-diol C27H46O2 402.6529 402.349780716 (1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 22R-hydroxycholesterol 22348-64-7 [H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 RZPAXNJLEKLXNO-GFKLAVDKSA-N belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Dihydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cholesterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 22-hydroxysteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholestane-skeleton Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Dihydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol 22-hydroxy steroid Cholesterol and derivatives Cholesterol and derivatives oxysterol Solid logp 5.69 ALOGPS logs -5.79 ALOGPS solubility 6.53e-04 g/l ALOGPS logp 5.8 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -0.73 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15S)-14-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 402.6529 ChemAxon mono_mass 402.349780716 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 ChemAxon inchikey RZPAXNJLEKLXNO-GFKLAVDKSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 122.21 ChemAxon polarizability 50.77 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Steroidogenesis SMP00130 map00140 Specdb::CMs 25636 Specdb::CMs 38689 Specdb::CMs 134633 Specdb::CMs 142367 Specdb::MsMs 178272 Specdb::MsMs 178273 Specdb::MsMs 178274 Specdb::MsMs 180588 Specdb::MsMs 180589 Specdb::MsMs 180590 Specdb::MsMs 3056150 Specdb::MsMs 3056151 Specdb::MsMs 3056152 Specdb::MsMs 3110831 Specdb::MsMs 3110832 Specdb::MsMs 3110833 HMDB04035 HC9 #<Reference:0x000055ce334e9538> #<Reference:0x000055ce334e9330> #<Reference:0x000055ce334e9178> #<Reference:0x000055ce334e8f98> #<Reference:0x000055ce334e8d90> 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 Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 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 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 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