1.0 2016-10-03 18:16:28 UTC 2020-06-04 19:35:30 UTC BMDB0011319 BMDB11319 PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 1-(1-Enyl-oleoyl)-2-arachidonoyl-sn-glycero-3-phosphocholine Gpcho(18:1/20:4) Gpcho(18:1n9/20:4n6) Gpcho(18:1W9/20:4W6) Gpcho(38:5) 1-(1Z,9Z-Octadecadienyl)-2-arachidonoyl-GPC 1-(1Z,9Z-Octadecadienyl)-2-arachidonoyl-sn-glycero-3-phosphocholine 1-(1Z,9Z-Octadecadienyl)-2-arachidonoyl-sn-glycero-phosphatidylcholine GPC(18:2/20:4) GPC(38:6) GPC(O-18:2(1Z,9Z)/20:4(5Z,8Z,11Z,14Z)) GPC(O-18:2(1Z,9Z)/20:4n6) GPC(O-18:2(1Z,9Z)/20:4W6) GPC(p-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) GPC(p-18:1(9Z)/20:4n6) GPC(p-18:1(9Z)/20:4W6) GPCho(18:2/20:4) GPCho(38:6) GPCho(O-18:2(1Z,9Z)/20:4(5Z,8Z,11Z,14Z)) GPCho(O-18:2(1Z,9Z)/20:4n6) GPCho(O-18:2(1Z,9Z)/20:4W6) GPCho(p-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) GPCho(p-18:1(9Z)/20:4n6) GPCho(p-18:1(9Z)/20:4W6) PC(18:2/20:4) PC(38:6) PC(O-18:2(1Z,9Z)/20:4(5Z,8Z,11Z,14Z)) PC(O-18:2(1Z,9Z)/20:4n6) PC(O-18:2(1Z,9Z)/20:4W6) PC(p-18:1(9Z)/20:4n6) PC(p-18:1(9Z)/20:4W6) Phosphatidylcholine(18:2/20:4) Phosphatidylcholine(38:6) Phosphatidylcholine(O-18:2(1Z,9Z)/20:4(5Z,8Z,11Z,14Z)) Phosphatidylcholine(O-18:2(1Z,9Z)/20:4n6) Phosphatidylcholine(O-18:2(1Z,9Z)/20:4W6) Phosphatidylcholine(p-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) Phosphatidylcholine(p-18:1(9Z)/20:4n6) Phosphatidylcholine(p-18:1(9Z)/20:4W6) C46H82NO7P 792.1195 791.582890495 (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1 HNUHLIYPMNZVJJ-HCMWKDOBSA-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 6.31 ALOGPS logs -7.36 ALOGPS logp 9.36 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium ChemAxon average_mass 792.1195 ChemAxon mono_mass 791.582890495 ChemAxon smiles CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C46H82NO7P ChemAxon inchi InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1 ChemAxon inchikey HNUHLIYPMNZVJJ-HCMWKDOBSA-N ChemAxon polar_surface_area 94.12 ChemAxon refractivity 249.39 ChemAxon polarizability 95.28 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 299773 Specdb::MsMs 299774 Specdb::MsMs 299775 Specdb::MsMs 341872 Specdb::MsMs 341873 Specdb::MsMs 341874 Specdb::MsMs 2282023 Specdb::MsMs 2282024 Specdb::MsMs 2282025 Specdb::MsMs 2714863 Specdb::MsMs 2714864 Specdb::MsMs 2714865 Specdb::MsMs 2967441 Specdb::MsMs 2967442 Specdb::MsMs 2967443 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 24767594 53480821 89465 FDB028062