1.0 2016-09-30 22:46:22 UTC 2020-04-22 15:08:18 UTC BMDB0001469 BMDB01469 Undecaprenyl diphosphate Diphosphoric acid, mono(3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaenyl) ester Undecaprenyl pyrophosphate UndPP Diphosphate, mono(3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaenyl) ester Undecaprenyl pyrophosphoric acid Undecaprenyl diphosphoric acid Bactoprenyl pyrophosphate Diphosphoric acid mono(3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaenyl) ester Undecaprenyl-PP UPP C55H92O7P2 927.2623 926.631828322 {[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid undecaprenyl pyrophosphate 23-13-2 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\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+ NTXGVHCCXVHYCL-RDQGWRCRSA-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 Polyterpenoids 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 Polyterpenoid Aliphatic acyclic compounds Bactoprenol diphosphates all-trans-polyprenyl diphosphate undecaprenyl diphosphate undecaprenyl phosphate Solid logp 9.29 ALOGPS logs -6.40 ALOGPS logp 16.89 ChemAxon pka_strongest_acidic 1.77 ChemAxon iupac {[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 927.2623 ChemAxon mono_mass 926.631828322 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\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O ChemAxon formula C55H92O7P2 ChemAxon inchi InChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(H2,56,57,58)/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+ ChemAxon inchikey NTXGVHCCXVHYCL-RDQGWRCRSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 287.15 ChemAxon polarizability 114.77 ChemAxon rotatable_bond_count 35 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::MsMs 28406 Specdb::MsMs 28407 Specdb::MsMs 28408 Specdb::MsMs 34964 Specdb::MsMs 34965 Specdb::MsMs 34966 Specdb::MsMs 2405291 Specdb::MsMs 2405292 Specdb::MsMs 2405293 Specdb::MsMs 2530626 Specdb::MsMs 2530627 Specdb::MsMs 2530628 Specdb::NmrOneD 303085 Specdb::NmrOneD 303086 Specdb::NmrOneD 303087 Specdb::NmrOneD 303088 Specdb::NmrOneD 303089 Specdb::NmrOneD 303090 FDB022641 4444213 5280604 C03543 17047 C55-isoprenyl pyrophosphate 3706