1.0 2020-03-25 16:06:02 UTC 2020-04-22 18:59:50 UTC BMDB0096707 LysoPC(P-18:0/0:0) 1-(1-Enyl-stearoyl)-glycero-3-phosphocholine 1-(1-Enyl-stearoyl)-GPC 1-(1-Enyl-stearoyl)-GPC (p-18:0) GPC(p-18:0) GPC(p-18:0/0:0) LysoPC(p-18:0) PC(p-18:0/0:0) 1-(1Z-Octadecenyl)-GPC 1-(1Z-Octadecenyl)-lysophosphatidylcholine 1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine GPC(18:1) GPC(O-18:1(1Z)) GPC(O-18:1(1Z)/0:0) LPC(18:1) LPC(O-18:1(1Z)) LPC(O-18:1(1Z)/0:0) LPC(p-18:0) LPC(p-18:0/0:0) LysoPC(18:1) LysoPC(O-18:1(1Z)) LysoPC(O-18:1(1Z)/0:0) Lysophosphatidylcholine(18:1) Lysophosphatidylcholine(O-18:1(1Z)) Lysophosphatidylcholine(O-18:1(1Z)/0:0) Lysophosphatidylcholine(p-18:0) Lysophosphatidylcholine(p-18:0/0:0) C26H54NO6P 507.6838 507.368874977 (2-{[(2R)-2-hydroxy-3-[(1Z)-octadec-1-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-2-hydroxy-3-[(1Z)-octadec-1-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h20,22,26,28H,5-19,21,23-25H2,1-4H3/b22-20-/t26-/m1/s1 WBOMIOWRFSPZMC-AYICAFKVSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one 1Z-alkenyl chain attached at the O1 position of a glycerol moiety through an ether linkage. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1-(1Z-alkenyl)-glycero-3-phosphocholines Amines Dialkyl phosphates Glycerol vinyl ethers Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Secondary alcohols Tetraalkylammonium salts 1-(1z-alkenyl)-glycero-3-phosphocholine Alcohol Aliphatic acyclic compound Alkyl phosphate Amine Dialkyl phosphate Glycerol vinyl ether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphocholine Phosphoric acid ester Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt Aliphatic acyclic compounds 1Z-alkenylglycerophosphocholines logp 2.99 ALOGPS logs -6.39 ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-2-hydroxy-3-[(1Z)-octadec-1-en-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 507.6838 ChemAxon mono_mass 507.368874977 ChemAxon smiles [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C26H54NO6P ChemAxon inchi InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h20,22,26,28H,5-19,21,23-25H2,1-4H3/b22-20-/t26-/m1/s1 ChemAxon inchikey WBOMIOWRFSPZMC-AYICAFKVSA-N ChemAxon polar_surface_area 88.05 ChemAxon refractivity 151.81 ChemAxon polarizability 60.23 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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 18146 Specdb::CMs 40059 Specdb::MsMs 306217 Specdb::MsMs 306218 Specdb::MsMs 306219 Specdb::MsMs 349789 Specdb::MsMs 349790 Specdb::MsMs 349791 Specdb::MsMs 2314496 Specdb::MsMs 2314497 Specdb::MsMs 2314498 Specdb::MsMs 2621291 Specdb::MsMs 2621292 Specdb::MsMs 2621293 Specdb::MsMs 2813078 Specdb::MsMs 2813079 Specdb::MsMs 2813080 FDB029295 24823061 24779527 133662 C04230