1.0 2016-10-03 18:33:51 UTC 2020-04-22 15:48:56 UTC BMDB0012187 BMDB12187 All-trans-heptaprenyl diphosphate all-trans-Heptaprenyl diphosphoric acid (E)-Heptaprenyl diphosphate C35H60O7P2 654.7942 654.381427298 [({[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid {[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid 76078-18-7 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+ LSJLEXWXRKTZAJ-YUIIPXGZSA-N belongs to the class of organic compounds known as bactoprenol diphosphates. These are polyprenyl compounds consisting of a diphosphate group substituted by a bactoprenyl moiety. Organic compounds Lipids and lipid-like molecules Prenol lipids Polyprenols Bactoprenol diphosphates Hydrocarbon derivatives Isoprenoid phosphates Monoalkyl phosphates Organic oxides Organic pyrophosphates Organooxygen compounds Polyprenyl diphosphates Polyprenyl monophosphates Sesquaterpenoids Aliphatic acyclic compound Alkyl phosphate Bactoprenol diphosphate Hydrocarbon derivative Isoprenoid phosphate Monoalkyl phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organooxygen compound Phosphoric acid ester Polyprenyl diphosphate Polyprenyl monophosphate Sesquaterpenoid Aliphatic acyclic compounds Bactoprenol diphosphates Polyterpenoids all-trans-polyprenyl diphosphate heptaprenyl diphosphate Solid logp 6.77 ALOGPS logs -6.19 ALOGPS logp 10.26 ChemAxon pka_strongest_acidic 1.77 ChemAxon iupac [({[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 654.7942 ChemAxon mono_mass 654.381427298 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O ChemAxon formula C35H60O7P2 ChemAxon inchi InChI=1S/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,39,40)(H2,36,37,38)/b30-17+,31-19+,32-21+,33-23+,34-25+,35-27+ ChemAxon inchikey LSJLEXWXRKTZAJ-YUIIPXGZSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 191.94 ChemAxon polarizability 75.6 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13981 Specdb::MsMs 179091 Specdb::MsMs 179092 Specdb::MsMs 179093 Specdb::MsMs 181416 Specdb::MsMs 181417 Specdb::MsMs 181418 Specdb::MsMs 2757267 Specdb::MsMs 2757268 Specdb::MsMs 2757269 Specdb::MsMs 2947866 Specdb::MsMs 2947867 Specdb::MsMs 2947868 C04216 FDB028839 4444257 5280658 17613 ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE