1.0 2016-09-30 23:01:34 UTC 2020-05-11 20:55:57 UTC BMDB0002759 BMDB02759 Androsterone sulfate 3alpha-Hydroxy-5alpha-androstan-17-one 3-sulfate 5alpha-Androstane-3alpha-ol-17-one sulfate 3a-Hydroxy-5a-androstan-17-one 3-sulfate 3a-Hydroxy-5a-androstan-17-one 3-sulfuric acid 3a-Hydroxy-5a-androstan-17-one 3-sulphate 3a-Hydroxy-5a-androstan-17-one 3-sulphuric acid 3alpha-Hydroxy-5alpha-androstan-17-one 3-sulfuric acid 3alpha-Hydroxy-5alpha-androstan-17-one 3-sulphate 3alpha-Hydroxy-5alpha-androstan-17-one 3-sulphuric acid 3Α-hydroxy-5α-androstan-17-one 3-sulfate 3Α-hydroxy-5α-androstan-17-one 3-sulfuric acid 3Α-hydroxy-5α-androstan-17-one 3-sulphate 3Α-hydroxy-5α-androstan-17-one 3-sulphuric acid 5a-Androstane-3a-ol-17-one sulfate 5a-Androstane-3a-ol-17-one sulfuric acid 5a-Androstane-3a-ol-17-one sulphate 5a-Androstane-3a-ol-17-one sulphuric acid 5alpha-Androstane-3alpha-ol-17-one sulfuric acid 5alpha-Androstane-3alpha-ol-17-one sulphate 5alpha-Androstane-3alpha-ol-17-one sulphuric acid 5Α-androstane-3α-ol-17-one sulfate 5Α-androstane-3α-ol-17-one sulfuric acid 5Α-androstane-3α-ol-17-one sulphate 5Α-androstane-3α-ol-17-one sulphuric acid Androsterone sulfuric acid Androsterone sulphate Androsterone sulphuric acid 3alpha-Sulfate-5alpha-androstan-17-one 5alpha-Androsterone sulfate 5alpha-Androsterone sulphate Andros-S Androsterone 3alpha-sulfate Androsterone 3alpha-sulphate Androsterone monosulfate Androsterone monosulphate Androsterone sulfate, (3alpha,5beta)-isomer Androsterone sulfate, (3beta,5alpha)-isomer Androsterone sulfate, (3beta,5beta)-isomer Androsterone sulfate, sodium salt Androsterone sulfate, sodium salt, (3alpha,5beta)-isomer Androsterone sulfate, sodium salt, (3beta,5alpha)-isomer Epiandrosterone sulfate Androsterone sulfate C19H30O5S 370.504 370.18139476 [(1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxidanesulfonic acid dheas 2479-86-9 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O InChI=1S/C19H30O5S/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/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1 ZMITXKRGXGRMKS-HLUDHZFRSA-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 Hydrocarbon derivatives Ketones Organic oxides Sulfuric acid monoesters 17-oxosteroid Aliphatic homopolycyclic compound Alkyl sulfate Androstane-skeleton Carbonyl group 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 Sulfates androstanoid steroid sulfate Solid logp 0.45 ALOGPS logs -4.89 ALOGPS logp 3.82 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac [(1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxidanesulfonic acid ChemAxon average_mass 370.504 ChemAxon mono_mass 370.18139476 ChemAxon smiles [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O ChemAxon formula C19H30O5S ChemAxon inchi InChI=1S/C19H30O5S/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/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1 ChemAxon inchikey ZMITXKRGXGRMKS-HLUDHZFRSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 93.8 ChemAxon polarizability 40.01 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 Specdb::CMs 20645 Specdb::CMs 156770 Specdb::MsMs 48240 Specdb::MsMs 48241 Specdb::MsMs 48242 Specdb::MsMs 117606 Specdb::MsMs 117607 Specdb::MsMs 117608 Specdb::MsMs 2771381 Specdb::MsMs 2771382 Specdb::MsMs 2771383 Specdb::MsMs 2908071 Specdb::MsMs 2908072 Specdb::MsMs 2908073 Adipose 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 Adrenal Cortex 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 Adrenal Gland 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 Adrenal Medulla 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 Epidermis 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 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 Ovary 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 Skeletal Muscle 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 Testis 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 FDB023062 140383 159663 83037 Androsterone sulfate 3559 Pelzer, Helmut; Staib, Wolfgang. Conjugated steroids. I. High-voltage paper electrophoresis of conjugated 17-keto steroids. Clinica Chimica Acta (1957), 2 407-15.