1.0 2016-09-30 22:41:03 UTC 2020-04-22 15:06:41 UTC BMDB0001094 BMDB01094 Octaprenyl diphosphate (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphATE all-trans-Octaprenyl pyrophosphate Farnesylfarnesylgeraniol (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphoric acid all-trans-Octaprenyl pyrophosphoric acid Octaprenyl diphosphoric acid all-trans-Octaprenyl diphosphate Octaprenyl pyrophosphate OPP C40H68O7P2 722.9112 722.444027554 {[hydroxy({[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid octaprenyl pyrophosphate 64732-94-1 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\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ IKKLDISSULFFQO-DJMILUHSSA-N belongs to the class of organic compounds known as tetraterpenoids. These are terpenoid molecules containing 10 consecutively linked isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Tetraterpenoids Bactoprenol diphosphates Hydrocarbon derivatives Isoprenoid phosphates Monoalkyl phosphates Organic oxides Organic pyrophosphates Organooxygen compounds Polyprenyl diphosphates Polyprenyl monophosphates 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 Polyprenyl phosphate skeleton Tetraterpenoid Aliphatic acyclic compounds C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Polyterpenoids all-trans-polyprenyl diphosphate octaprenyl diphosphate Solid logp 7.60 ALOGPS logs -6.29 ALOGPS logp 11.92 ChemAxon pka_strongest_acidic 1.77 ChemAxon iupac {[hydroxy({[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 722.9112 ChemAxon mono_mass 722.444027554 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\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O ChemAxon formula C40H68O7P2 ChemAxon inchi InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+ ChemAxon inchikey IKKLDISSULFFQO-DJMILUHSSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 215.74 ChemAxon polarizability 86.26 ChemAxon rotatable_bond_count 26 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 59767 Specdb::MsMs 24383 Specdb::MsMs 24384 Specdb::MsMs 24385 Specdb::MsMs 30941 Specdb::MsMs 30942 Specdb::MsMs 30943 Specdb::MsMs 2773802 Specdb::MsMs 2773803 Specdb::MsMs 2773804 Specdb::MsMs 2905524 Specdb::MsMs 2905525 Specdb::MsMs 2905526 Specdb::NmrOneD 288315 Specdb::NmrOneD 288316 Specdb::NmrOneD 288317 Specdb::NmrOneD 288318 Specdb::NmrOneD 288319 Specdb::NmrOneD 288320 Specdb::NmrOneD 288321 Specdb::NmrOneD 288322 Specdb::NmrOneD 288323 Specdb::NmrOneD 288324 Specdb::NmrOneD 288325 Specdb::NmrOneD 288326 Specdb::NmrOneD 288327 Specdb::NmrOneD 288328 Specdb::NmrOneD 288329 Specdb::NmrOneD 288330 Specdb::NmrOneD 288331 Specdb::NmrOneD 288332 Specdb::NmrOneD 288333 Specdb::NmrOneD 288334 C04146 FDB022423 4444251 5280651 16275 6000 OCTAPRENYL-DIPHOSPHATE