1.0 2016-09-30 23:10:00 UTC 2020-05-11 20:45:43 UTC BMDB0004659 BMDB04659 8-Isoprostane (1R,2S)-1-Heptyl-2-octylcyclopentane (8beta)-Prostane (8b)-Prostane (8Β)-prostane 8-beta-Prostane 15-F(2t)-Isoprostane 8-iso-PGF(2alpha) 15-F(2t)-IsoP 8-Epi-PGF2alpha 8-Epi-prostaglandin F2alpha 8-iso-PGF2alpha Isoprostaglandin F2alpha type-III 8-Isoprostaglandin F2alpha 8-Epiprostaglandin F2alpha 8-F(2t)-Isoprostane 8-Epi-PGF2 alpha 15-F2t-IsoP 15-F2t-Isoprostane C20H40 280.5316 280.31300128 (1R,2S)-1-heptyl-2-octylcyclopentane 8β-prostane 155976-51-5 [H][C@@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC InChI=1S/C20H40/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1 UKVVPDHLUHAJNZ-UXHICEINSA-N belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). Organic compounds Hydrocarbons Saturated hydrocarbons Cycloalkanes Cycloalkanes Aliphatic homomonocyclic compound Cycloalkane Aliphatic homomonocyclic compounds 1-heptyl-2-octylcyclopentane Solid logp 9.29 ALOGPS logs -7.56 ALOGPS logp 8.58 ChemAxon iupac (1R,2S)-1-heptyl-2-octylcyclopentane ChemAxon average_mass 280.5316 ChemAxon mono_mass 280.31300128 ChemAxon smiles [H][C@@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC ChemAxon formula C20H40 ChemAxon inchi InChI=1S/C20H40/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1 ChemAxon inchikey UKVVPDHLUHAJNZ-UXHICEINSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 91.92 ChemAxon polarizability 40.05 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Arachidonic Acid Metabolism SMP0087220 Specdb::CMs 21612 Specdb::CMs 135175 Specdb::CMs 142909 Specdb::MsMs 69711 Specdb::MsMs 69712 Specdb::MsMs 69713 Specdb::MsMs 128043 Specdb::MsMs 128044 Specdb::MsMs 128045 Specdb::MsMs 2421492 Specdb::MsMs 2421493 Specdb::MsMs 2421494 Specdb::MsMs 2544892 Specdb::MsMs 2544893 Specdb::MsMs 2544894 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 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 Platelet 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 97008 FDB023392 107873 C13809 33023 Isoprostane 7067