1.0 2011-04-11 15:43:46 UTC 2019-11-26 03:20:53 UTC FDB021804 Estrone sulfate Estrone sulfate is a sulfated estrone derivative. Estrone sulfate acts as a long-lived reservoir that can be converted as needed to the more active estradiol (from estrone via 17 beta-hydroxysteroid dehydrogenase). Estrone Sulfate (E1S) is the most abundant circulating estrogen in non-pregnant women as well as normal men. Estrone is primarily synthesized from estrone sulfate. Estrone is an estrogenic hormone secreted by the ovaries and adipose tissues. Estrone is one of the three estrogens found in humans. The other two are estriol and estradiol. Estrone is the least prevalent of the three. Estradiol plays a critical role on reproductive and sexual functioning in women and it also affects other organs including the bones. Estriol is an estrogen that is prevalent primarily during pregnancy. [HMDB] 3-Hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulfate 3-Hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulfuric acid 3-Hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate 3-Hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphuric acid Conestoral Estrogenic substances Estrone Estrone hydrogen sulfate Estrone hydrogen sulphate Estrone 3-sulfate Estrone 3-sulfuric acid Estrone 3-sulphate Estrone 3-sulphuric acid Estrone hydrogen sulfate Estrone hydrogen sulfuric acid Estrone hydrogen sulphate Estrone hydrogen sulphuric acid Estrone O-sulfate Estrone sulfate Estrone sulfate sodium Estrone sulfuric acid Estrone sulphate Estrone sulphate sodium Estrone sulphuric acid Estrone-3-sulfate Estrone-3-sulphate Premarin Sodium estrone 3-monosulfate Sodium estrone 3-monosulphate Sodium estrone 3-sulfate Sodium estrone 3-sulphate C18H22O5S 350.429 350.118794504 {15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxidanesulfonic acid {15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxidanesulfonic acid 481-97-0 CC12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4)C1CCC2=O InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22) JKKFKPJIXZFSSB-UHFFFAOYSA-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 Aromatic homopolycyclic compounds 17-oxosteroids Arylsulfates Estrane steroids Hydrocarbon derivatives Ketones Organic oxides Phenanthrenes and derivatives Sulfuric acid monoesters Tetralins 17-oxosteroid Aromatic homopolycyclic compound Arylsulfate Benzenoid Carbonyl group Estrane-skeleton Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Oxosteroid Phenanthrene Sulfate-ester Sulfated steroid skeleton Sulfuric acid ester Sulfuric acid monoester Tetralin Solid logp 0.29 ALOGPS logs -4.77 ALOGPS solubility 5.90e-03 g/l ALOGPS logp 3.83 ChemAxon pka_strongest_acidic -1.7 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac {15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxidanesulfonic acid ChemAxon average_mass 350.429 ChemAxon mono_mass 350.118794504 ChemAxon smiles CC12CCC3C(CCC4=C3C=CC(OS(O)(=O)=O)=C4)C1CCC2=O ChemAxon formula C18H22O5S ChemAxon inchi InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22) ChemAxon inchikey JKKFKPJIXZFSSB-UHFFFAOYSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 89.07 ChemAxon polarizability 36.67 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Androgen and Estrogen Metabolism SMP00068 map00150 Sulfate/Sulfite Metabolism SMP00041 map00920 Specdb::MsMs 2233311 Specdb::MsMs 3420485 Specdb::MsMs 3420486 Specdb::MsMs 3420487 Specdb::MsMs 3420488 Specdb::MsMs 3420489 Specdb::MsMs 3420490 Specdb::CMs 108042 Specdb::CMs 120532 HMDB01425 #<Reference:0x00007f093c0b9748> #<Reference:0x00007f093c0b9590> #<Reference:0x00007f093c0b93d8> #<Reference:0x00007f093c0b9220> #<Reference:0x00007f093c0b8f78> #<Reference:0x00007f093c0b8d98> #<Reference:0x00007f093c0b8be0> #<Reference:0x00007f093c0b8a28> #<Reference:0x00007f093c0b8870> #<Reference:0x00007f093c0b86b8> #<Reference:0x00007f093c0b8500> #<Reference:0x00007f093c0b8348> #<Reference:0x00007f093c0b8190> #<Reference:0x000055ce332ebf88> #<Reference:0x000055ce332ebd30> 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 Milk (Cow) Type 2 specific 0.000624 0.000685 0.000574 uM 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 Estrogen sulfotransferase P49888 SULT1E1