1.0 2016-09-30 23:21:09 UTC 2020-05-11 20:24:40 UTC BMDB0006278 BMDB06278 5a-Dihydrotestosterone sulfate (5alpha,17beta)-3-Oxoandrostan-17-yl hydrogen sulfate 5alpha-Dihydrotestosterone 17-sulfate DHT-Sulfate DHT-Sulphate Dihydrotestosterone sulfate Dihydrotestosterone sulphate (5a,17b)-3-Oxoandrostan-17-yl hydrogen sulfate (5a,17b)-3-Oxoandrostan-17-yl hydrogen sulfuric acid (5a,17b)-3-Oxoandrostan-17-yl hydrogen sulphate (5a,17b)-3-Oxoandrostan-17-yl hydrogen sulphuric acid (5alpha,17beta)-3-Oxoandrostan-17-yl hydrogen sulfuric acid (5alpha,17beta)-3-Oxoandrostan-17-yl hydrogen sulphate (5alpha,17beta)-3-Oxoandrostan-17-yl hydrogen sulphuric acid (5Α,17β)-3-oxoandrostan-17-yl hydrogen sulfate (5Α,17β)-3-oxoandrostan-17-yl hydrogen sulfuric acid (5Α,17β)-3-oxoandrostan-17-yl hydrogen sulphate (5Α,17β)-3-oxoandrostan-17-yl hydrogen sulphuric acid 5a-Dihydrotestosterone 17-sulfate 5a-Dihydrotestosterone 17-sulfuric acid 5a-Dihydrotestosterone 17-sulphate 5a-Dihydrotestosterone 17-sulphuric acid 5alpha-Dihydrotestosterone 17-sulfuric acid 5alpha-Dihydrotestosterone 17-sulphate 5alpha-Dihydrotestosterone 17-sulphuric acid 5Α-dihydrotestosterone 17-sulfate 5Α-dihydrotestosterone 17-sulfuric acid 5Α-dihydrotestosterone 17-sulphate 5Α-dihydrotestosterone 17-sulphuric acid DHT-Sulfuric acid DHT-Sulphuric acid Dihydrotestosterone sulfuric acid Dihydrotestosterone sulphuric acid 5a-Dihydrotestosterone sulfuric acid 5a-Dihydrotestosterone sulphate 5a-Dihydrotestosterone sulphuric acid 5alpha-Dihydrotestosterone sulfate 5alpha-Dihydrotestosterone sulphate C19H30O5S 370.504 370.18139476 [(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]oxidanesulfonic acid 5α-dihydrotestosterone sulfate [H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1 KYVPWJSGFKNNLD-ABEVXSGRSA-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 3-oxo-5-alpha-steroids Alkyl sulfates Androgens and derivatives Cyclic ketones Hydrocarbon derivatives Organic oxides Sulfuric acid monoesters 3-oxo-5-alpha-steroid 3-oxosteroid Aliphatic homopolycyclic compound Alkyl sulfate Androgen-skeleton Androstane-skeleton Carbonyl group Cyclic ketone 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 Solid logp 0.27 ALOGPS logs -4.85 ALOGPS logp 3.47 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac [(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]oxidanesulfonic acid ChemAxon average_mass 370.504 ChemAxon mono_mass 370.18139476 ChemAxon smiles [H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C ChemAxon formula C19H30O5S ChemAxon inchi InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1 ChemAxon inchikey KYVPWJSGFKNNLD-ABEVXSGRSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 93.59 ChemAxon polarizability 40.41 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 14616 Specdb::CMs 146690 Specdb::MsMs 95208 Specdb::MsMs 95209 Specdb::MsMs 95210 Specdb::MsMs 159399 Specdb::MsMs 159400 Specdb::MsMs 159401 Specdb::MsMs 2387729 Specdb::MsMs 2387730 Specdb::MsMs 2387731 Specdb::MsMs 2578665 Specdb::MsMs 2578666 Specdb::MsMs 2578667 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 18915389 18665256 FDB023873 2794980 138026