1.0 2011-09-21 00:09:24 UTC 2015-10-09 22:29:50 UTC FDB022164 Cholesterol sulfate Cholesterol sulfate is a sterol sulfate in human plasma. It is a component of cell membrane and has a regulatory function. It has a stabilizing function on the membrane, supports platelet adhesion and involves in signal transduction. (PMID 12730293) [HMDB] 5-Cholesten-3b-yl sulfate 5-Cholesten-3b-yl sulphate CHOLEST-5-en-3-yl hydrogen sulfATE CHOLEST-5-en-3-yl hydrogen sulfuric acid CHOLEST-5-en-3-yl hydrogen sulphate CHOLEST-5-en-3-yl hydrogen sulphuric acid Cholest-5-en-3b-ol sulfate Cholest-5-en-3b-ol sulfuric acid Cholest-5-en-3b-ol sulphate Cholest-5-en-3b-ol sulphuric acid Cholest-5-en-3beta-ol sulfate Cholest-5-en-3beta-ol sulfuric acid Cholest-5-en-3beta-ol sulphate Cholest-5-en-3beta-ol sulphuric acid Cholest-5-en-3β-ol sulfate Cholest-5-en-3β-ol sulfuric acid Cholest-5-en-3β-ol sulphate Cholest-5-en-3β-ol sulphuric acid Cholesterol 3-sulfate Cholesterol 3-sulphate Cholesterol hydrogen sulfate Cholesterol hydrogen sulphate Cholesterol sulfate Cholesterol sulfic acid Cholesterol sulfuric acid Cholesterol sulphate Cholesterol sulphuric acid Cholesteryl sulfate Cholesteryl sulfuric acid Cholesteryl sulphate Cholesteryl sulphuric acid C27H46O4S 466.717 466.31168065 [(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid [(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid 1256-86-6 [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 BHYOQNUELFTYRT-DPAQBDIFSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic homopolycyclic compounds Alkyl sulfates Delta-5-steroids Hydrocarbon derivatives Organic oxides Organooxygen compounds Sulfated steroids Sulfuric acid monoesters Aliphatic homopolycyclic compound Alkyl sulfate Cholesterol Delta-5-steroid Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Sulfate-ester Sulfated steroid skeleton Sulfuric acid ester Sulfuric acid monoester Sulfates steroid sulfate Solid logp 3.27 ALOGPS logs -6.80 ALOGPS solubility 7.48e-05 g/l ALOGPS logp 7.17 ChemAxon pka_strongest_acidic -1.4 ChemAxon iupac [(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid ChemAxon average_mass 466.717 ChemAxon mono_mass 466.31168065 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O ChemAxon formula C27H46O4S ChemAxon inchi InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 ChemAxon inchikey BHYOQNUELFTYRT-DPAQBDIFSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 130.61 ChemAxon polarizability 56.55 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11059 Specdb::CMs 161850 Specdb::NmrTwoD 1402 Specdb::NmrOneD 1457 Specdb::MsMs 891 Specdb::MsMs 892 Specdb::MsMs 893 Specdb::MsMs 253797 Specdb::MsMs 253798 Specdb::MsMs 253799 Specdb::MsMs 273738 Specdb::MsMs 273739 Specdb::MsMs 273740 Specdb::MsMs 2436241 Specdb::MsMs 2436242 Specdb::MsMs 2436243 Specdb::MsMs 2526414 Specdb::MsMs 2526415 Specdb::MsMs 2526416 HMDB00653 C3S #<Reference:0x000055ce3068e1c0> #<Reference:0x000055ce3068e008> #<Reference:0x000055ce3068de50> #<Reference:0x000055ce3068dc98> #<Reference:0x000055ce3068dae0> #<Reference:0x000055ce3068d928> #<Reference:0x000055ce3068d770> #<Reference:0x000055ce3068d5b8> #<Reference:0x000055ce3068d400> #<Reference:0x000055ce3068d248> 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 Sulfotransferase family cytosolic 2B member 1 O00204 SULT2B1