1.0 2016-10-03 18:15:36 UTC 2020-06-04 20:08:11 UTC BMDB0011272 BMDB11272 PC(P-18:1(11Z)/16:0) 1-(1-Enyl-vaccenoyl)-2-palmitoyl-sn-glycero-3-phosphocholine Gpcho(18:1/16:0) Gpcho(18:1n7/16:0) Gpcho(18:1W7/16:0) Gpcho(34:1) 1-(1Z,11Z-Octadecadienyl)-2-palmitoyl-GPC 1-(1Z,11Z-Octadecadienyl)-2-palmitoyl-sn-glycero-3-phosphocholine 1-(1Z,11Z-Octadecadienyl)-2-palmitoyl-sn-glycero-phosphatidylcholine GPC(18:2/16:0) GPC(34:2) GPC(O-18:2(1Z,11Z)/16:0) GPC(p-18:1(11Z)/16:0) GPCho(18:2/16:0) GPCho(34:2) GPCho(O-18:2(1Z,11Z)/16:0) GPCho(p-18:1(11Z)/16:0) PC(18:2/16:0) PC(34:2) PC(O-18:2(1Z,11Z)/16:0) Phosphatidylcholine(18:2/16:0) Phosphatidylcholine(34:2) Phosphatidylcholine(O-18:2(1Z,11Z)/16:0) Phosphatidylcholine(p-18:1(11Z)/16:0) C42H82NO7P 744.0767 743.582890495 (2-{[2-(hexadecanoyloxy)-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium (2-{[2-(hexadecanoyloxy)-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium CCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34- MBRHHFWRXQYYAN-RTVLTNFHSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl),2-acyl-glycerophosphocholines. These are glycerophosphocholines that carry exactly one acyl chain attached to the glycerol moiety through an ester linkage at the O2-position, and one 1Z-alkenyl chain attached through an ether linkage at the O1-position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1-(1Z-alkenyl),2-acyl-glycerophosphocholines Amines Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Fatty acid esters Glycerol vinyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Tetraalkylammonium salts 1-(1z-alkenyl),2-acyl-glycerophosphocholine Aliphatic acyclic compound Alkyl phosphate Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl phosphate Fatty acid ester Fatty acyl Glycerol vinyl ether Hydrocarbon derivative Monocarboxylic acid or derivatives 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 Tetraalkylammonium salt Aliphatic acyclic compounds Solid logp 5.96 ALOGPS logs -7.53 ALOGPS logp 9.03 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (2-{[2-(hexadecanoyloxy)-3-[(1Z,11Z)-octadeca-1,11-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium ChemAxon average_mass 744.0767 ChemAxon mono_mass 743.582890495 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C42H82NO7P ChemAxon inchi InChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16-,37-34- ChemAxon inchikey MBRHHFWRXQYYAN-RTVLTNFHSA-N ChemAxon polar_surface_area 94.12 ChemAxon refractivity 226.52 ChemAxon polarizability 92.66 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 4 ChemAxon donor_count 0 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::MsMs 295672 Specdb::MsMs 295673 Specdb::MsMs 295674 Specdb::MsMs 336739 Specdb::MsMs 336740 Specdb::MsMs 336741 Specdb::MsMs 2328174 Specdb::MsMs 2328175 Specdb::MsMs 2328176 Specdb::MsMs 2443060 Specdb::MsMs 2443061 Specdb::MsMs 2443062 Specdb::MsMs 2519646 Specdb::MsMs 2519647 Specdb::MsMs 2519648 All Tissues 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 24767547 89940 53480735 FDB028019