1.02011-09-21 01:50:53 UTC2015-07-21 06:59:38 UTCFDB0291532-Hydroxyestrone sulfate2-Hydroxyestrone sulfate is a sulfate derivative of Estrone
Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB]1,3,5(10)-Triene-2,3-diol-17-one 3-sulfate1,3,5(10)-Triene-2,3-diol-17-one 3-sulphate1,3,5(10)-triene-2,3-diol-17one 3-sulfate2,3-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulfate2,3-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulphate2,3-dihydroxyestra-1,3,5(10)-trien-17one 3-sulfate2HEn-3Scatecholestrogen sulfateCatecholestrogen sulphateC18H21O6S365.421365.105884094(15S)-4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl sulfate(15S)-4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl sulfate1240-04-6C[C@]12CCC3C(CCC4=C3C=C(O)C(OS([O-])(=O)=O)=C4)C1CCC2=OInChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/p-1/t11?,12?,14?,18-/m0/s1DTMWSKSAMRZGQH-PEDDLLMLSA-M 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 steroidsOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesSulfated steroidsAromatic homopolycyclic compounds1-hydroxy-2-unsubstituted benzenoids17-oxosteroidsArylsulfatesEstrane steroidsHydrocarbon derivativesHydroxysteroidsKetonesOrganic anionsOrganic oxidesPhenanthrenes and derivativesSulfuric acid monoestersTetralins1-hydroxy-2-unsubstituted benzenoid17-oxosteroid2-hydroxysteroidAromatic homopolycyclic compoundArylsulfateBenzenoidCarbonyl groupEstrane-skeletonHydrocarbon derivativeHydroxysteroidKetoneOrganic anionOrganic oxideOrganic oxygen compoundOrganic sulfuric acid or derivativesOrganooxygen compoundOxosteroidPhenanthreneSulfate-esterSulfated steroid skeletonSulfuric acid esterSulfuric acid monoesterTetralinSolidlogp2.48logs-3.96solubility4.20e-02 g/llogp4.18pka_strongest_acidic-1.9pka_strongest_basic-4.4iupac(15S)-4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-yl sulfateaverage_mass365.421mono_mass365.105884094smilesC[C@]12CCC3C(CCC4=C3C=C(O)C(OS([O-])(=O)=O)=C4)C1CCC2=OformulaC18H21O6SinchiInChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/p-1/t11?,12?,14?,18-/m0/s1inchikeyDTMWSKSAMRZGQH-PEDDLLMLSA-Mpolar_surface_area103.73refractivity89.93polarizability37.27rotatable_bond_count2acceptor_count5donor_count1physiological_charge-1formal_charge-1Specdb::MsMs102792Specdb::MsMs102793Specdb::MsMs102794Specdb::MsMs168675Specdb::MsMs168676Specdb::MsMs168677HMDB12622