1.0 2011-09-21 00:07:19 UTC 2018-05-29 01:52:43 UTC FDB022032 17-Hydroxypregnenolone sulfate 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] 17-Hydroxy-pregnenolone sulfate 17-Hydroxy-pregnenolone sulphate 17-Hydroxypregnenolone 3-sulfate 17-Hydroxypregnenolone 3-sulphate 17-Hydroxypregnenolone sulfate 17-Hydroxypregnenolone sulfic acid 17-Hydroxypregnenolone sulphate 17alpha-hydroxypregnenolone sulfate 17alpha-Hydroxypregnenolone sulphate 17b-Hydroxypregnenolone 3-sulfate 17b-Hydroxypregnenolone 3-sulphate C21H32O6S 412.54 412.191959446 [(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid 17-hydroxypregnenolone sulfate 2477-77-2 [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15?,16-,17+,18+,19+,20+,21+/m1/s1 OMOKWYAQVYBHMG-QUPIPBJSSA-N belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Sulfated steroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids Aliphatic homopolycyclic compounds 17-hydroxysteroids 20-oxosteroids Alkyl sulfates Alpha-hydroxy ketones Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Organic oxides Pregnane steroids Sulfuric acid monoesters Tertiary alcohols 17-hydroxysteroid 20-oxosteroid Alcohol Aliphatic homopolycyclic compound Alkyl sulfate Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Oxosteroid Pregnane-skeleton Sulfate-ester Sulfated steroid skeleton Sulfuric acid ester Sulfuric acid monoester Tertiary alcohol Sulfates Solid logp 0.37 ALOGPS logs -4.31 ALOGPS solubility 2.04e-02 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_acidic -1.4 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac [(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid ChemAxon average_mass 412.54 ChemAxon mono_mass 412.191959446 ChemAxon smiles [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O ChemAxon formula C21H32O6S ChemAxon inchi InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15?,16-,17+,18+,19+,20+,21+/m1/s1 ChemAxon inchikey OMOKWYAQVYBHMG-QUPIPBJSSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 105.15 ChemAxon polarizability 44.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16262 Specdb::CMs 37516 Specdb::CMs 137221 Specdb::CMs 144955 Specdb::CMs 1061033 Specdb::CMs 1061034 Specdb::CMs 1061036 Specdb::CMs 1061038 Specdb::CMs 1061040 Specdb::MsMs 108105 Specdb::MsMs 108106 Specdb::MsMs 108107 Specdb::MsMs 175245 Specdb::MsMs 175246 Specdb::MsMs 175247 Specdb::MsMs 2318144 Specdb::MsMs 2318145 Specdb::MsMs 2318146 Specdb::MsMs 2616744 Specdb::MsMs 2616745 Specdb::MsMs 2616746 HMDB00416 #<Reference:0x000055ce32629958> #<Reference:0x000055ce326297a0> #<Reference:0x000055ce326295e8> 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