1.0 2016-09-30 22:40:08 UTC 2020-05-21 16:29:05 UTC BMDB0001032 BMDB01032 DHEA sulfate Dehydroepiandrosterone sulfate, also known as Dehydroepiandrosterone sulfate or dehydroepiandrosterone sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Dehydroepiandrosterone sulfate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Dehydroepiandrosterone sulfate participates in a number of enzymatic reactions, within cattle. In particular, Adenosine 3',5'-diphosphate and dehydroepiandrosterone sulfate can be biosynthesized from phosphoadenosine phosphosulfate and dehydroepiandrosterone through the action of the enzyme sulfotransferase family cytosolic 2B member 1. In addition, Dehydroepiandrosterone sulfate can be converted into dehydroepiandrosterone and sulfate through the action of the enzyme steryl-sulfatase. In cattle, dehydroepiandrosterone sulfate is involved in the metabolic pathway called the androgen and estrogen metabolism pathway. Dehydroepiandrosterone sulfate is a potentially toxic compound. (3-beta)-3-(Sulfooxy)androst-5-en-17-one 17-Ketoandrost-5-en-3beta-yl sulfate 17-Oxoandrost-5-en-3beta-yl hydrogen sulphate 3-O-Sulfodehydroepiandrosterone 3beta-Hydroxyandrost-5-en-17-one 3-sulfate Androst-5-en-17-on-3beta-yl sulfuric acid Dehydroepiandrosterone 3-sulfate Dehydroepiandrosterone monosulfate Dehydroepiandrosterone sulphate Dehydroisoandrosterone sulfate Dehydroisoandrosterone-3-sulfate DHEA sulfate DHEA-S DHEAS Prasterone sulfate (3-b)-3-(Sulfooxy)androst-5-en-17-one (3-b)-3-(Sulphooxy)androst-5-en-17-one (3-beta)-3-(Sulphooxy)androst-5-en-17-one (3-Β)-3-(sulfooxy)androst-5-en-17-one (3-Β)-3-(sulphooxy)androst-5-en-17-one 17-Ketoandrost-5-en-3b-yl sulfate 17-Ketoandrost-5-en-3b-yl sulfuric acid 17-Ketoandrost-5-en-3b-yl sulphate 17-Ketoandrost-5-en-3b-yl sulphuric acid 17-Ketoandrost-5-en-3beta-yl sulfuric acid 17-Ketoandrost-5-en-3beta-yl sulphate 17-Ketoandrost-5-en-3beta-yl sulphuric acid 17-Ketoandrost-5-en-3β-yl sulfate 17-Ketoandrost-5-en-3β-yl sulfuric acid 17-Ketoandrost-5-en-3β-yl sulphate 17-Ketoandrost-5-en-3β-yl sulphuric acid 17-Oxoandrost-5-en-3b-yl hydrogen sulfate 17-Oxoandrost-5-en-3b-yl hydrogen sulfuric acid 17-Oxoandrost-5-en-3b-yl hydrogen sulphate 17-Oxoandrost-5-en-3b-yl hydrogen sulphuric acid 17-Oxoandrost-5-en-3beta-yl hydrogen sulfate 17-Oxoandrost-5-en-3beta-yl hydrogen sulfuric acid 17-Oxoandrost-5-en-3beta-yl hydrogen sulphuric acid 17-Oxoandrost-5-en-3β-yl hydrogen sulfate 17-Oxoandrost-5-en-3β-yl hydrogen sulfuric acid 17-Oxoandrost-5-en-3β-yl hydrogen sulphate 17-Oxoandrost-5-en-3β-yl hydrogen sulphuric acid 3-O-Sulphodehydroepiandrosterone 3b-Hydroxyandrost-5-en-17-one 3-sulfate 3b-Hydroxyandrost-5-en-17-one 3-sulfuric acid 3b-Hydroxyandrost-5-en-17-one 3-sulphate 3b-Hydroxyandrost-5-en-17-one 3-sulphuric acid 3beta-Hydroxyandrost-5-en-17-one 3-sulfuric acid 3beta-Hydroxyandrost-5-en-17-one 3-sulphate 3beta-Hydroxyandrost-5-en-17-one 3-sulphuric acid 3Β-hydroxyandrost-5-en-17-one 3-sulfate 3Β-hydroxyandrost-5-en-17-one 3-sulfuric acid 3Β-hydroxyandrost-5-en-17-one 3-sulphate 3Β-hydroxyandrost-5-en-17-one 3-sulphuric acid Androst-5-en-17-on-3b-yl sulfate Androst-5-en-17-on-3b-yl sulfuric acid Androst-5-en-17-on-3b-yl sulphate Androst-5-en-17-on-3b-yl sulphuric acid Androst-5-en-17-on-3beta-yl sulfate Androst-5-en-17-on-3beta-yl sulphate Androst-5-en-17-on-3beta-yl sulphuric acid Androst-5-en-17-on-3β-yl sulfate Androst-5-en-17-on-3β-yl sulfuric acid Androst-5-en-17-on-3β-yl sulphate Androst-5-en-17-on-3β-yl sulphuric acid Dehydroepiandrosterone 3-sulfuric acid Dehydroepiandrosterone 3-sulphate Dehydroepiandrosterone 3-sulphuric acid Dehydroepiandrosterone monosulfuric acid Dehydroepiandrosterone monosulphate Dehydroepiandrosterone monosulphuric acid Dehydroepiandrosterone sulfuric acid Dehydroepiandrosterone sulphuric acid Dehydroisoandrosterone sulfuric acid Dehydroisoandrosterone sulphate Dehydroisoandrosterone sulphuric acid Dehydroisoandrosterone-3-sulfuric acid Dehydroisoandrosterone-3-sulphate Dehydroisoandrosterone-3-sulphuric acid DHEA sulfuric acid DHEA sulphate DHEA sulphuric acid Prasterone sulfuric acid Prasterone sulphate Prasterone sulphuric acid (3beta)-3-(Sulfooxy)-androst-5-en-17-one 17-Oxoandrost-5-en-3-yl hydrogen sulfate 17-Oxoandrost-5-en-3-yl hydrogen sulphate 3-b-Hydroxyandrost-5-en-17-one 3-sulfate 3-b-Hydroxyandrost-5-en-17-one 3-sulphate 3-beta-Hydroxyandrost-5-en-17-one 3-sulfate 3-beta-Hydroxyandrost-5-en-17-one 3-sulphate 3b-Hydroxy-androst-5-en-17-one hydrogen sulfate 3b-Hydroxy-androst-5-en-17-one hydrogen sulphate 3beta-Hydroxy-androst-5-en-17-one hydrogen sulfate 3beta-Hydroxy-androst-5-en-17-one hydrogen sulphate Dehydroepiandrosterone-3-sulfate Dehydroepiandrosterone-3-sulphate Formylisoglutamic acid Prasterone-3-sulfate Prasterone-3-sulphate DHA sulfate Sulfate, dehydroisoandrosterone Sulfate, prasterone Sulfate, dhea Sulfate, dehydroepiandrosterone Sulfate, dha C19H28O5S 368.488 368.165744696 [(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid [(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid 651-48-9 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1 CZWCKYRVOZZJNM-USOAJAOKSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids Sulfated steroids 17-oxosteroids Alkyl sulfates Androstane steroids Delta-5-steroids Hydrocarbon derivatives Ketones Organic oxides Sulfuric acid monoesters 17-oxosteroid Aliphatic homopolycyclic compound Alkyl sulfate Androstane-skeleton Carbonyl group Delta-5-steroid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Oxosteroid Sulfate-ester Sulfated steroid skeleton Sulfuric acid ester Sulfuric acid monoester Aliphatic homopolycyclic compounds 17-oxo steroid Androgens C19 steroids (androgens) and derivatives Sulfates steroid sulfate sulfates Solid logp 0.49 ALOGPS logs -4.66 ALOGPS logp 3.42 ChemAxon pka_strongest_acidic -1.4 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac [(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid ChemAxon average_mass 368.488 ChemAxon mono_mass 368.165744696 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O ChemAxon formula C19H28O5S ChemAxon inchi InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1 ChemAxon inchikey CZWCKYRVOZZJNM-USOAJAOKSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 94.65 ChemAxon polarizability 39.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Androgen and Estrogen Metabolism SMP0087251 Specdb::CMs 10424 Specdb::CMs 165793 Specdb::MsMs 78474 Specdb::MsMs 78475 Specdb::MsMs 78476 Specdb::MsMs 138825 Specdb::MsMs 138826 Specdb::MsMs 138827 Specdb::MsMs 2243991 Specdb::MsMs 2246084 Specdb::MsMs 2246184 Specdb::MsMs 2248118 Specdb::MsMs 2358765 Specdb::MsMs 2358766 Specdb::MsMs 2358767 Specdb::MsMs 2603228 Specdb::MsMs 2603229 Specdb::MsMs 2603230 Specdb::NmrOneD 303331 Specdb::NmrOneD 303332 Specdb::NmrOneD 303333 Specdb::NmrOneD 303334 Specdb::NmrOneD 303335 Specdb::NmrOneD 303336 Specdb::NmrOneD 303337 Specdb::NmrOneD 303338 Specdb::NmrOneD 303339 Specdb::NmrOneD 303340 Specdb::NmrOneD 303341 Specdb::NmrOneD 303342 Specdb::NmrOneD 303343 Specdb::NmrOneD 303344 Specdb::NmrOneD 303345 Specdb::NmrOneD 303346 Specdb::NmrOneD 303347 Specdb::NmrOneD 303348 Specdb::NmrOneD 303349 Specdb::NmrOneD 303350 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022381 C04555 12594 12074 DB05804 16814 44038 Dehydroepiandrosterone_sulfate 4095 DEHYDRO-EPIANDROSTERONE-SULFATE BMDBP00081 Arylsulfatase A Q08DD1 ARSA Enzyme BMDBP00376 Sulfotransferase 1A1 P50227 SULT1A1 Enzyme