1.0 2016-10-03 18:14:28 UTC 2020-06-04 19:50:31 UTC BMDB0011207 BMDB11207 PC(P-16:0/16:1(9Z)) 1-(1-Enyl-palmitoyl)-2-palmitoleoyl-GPC 1-(1-Enyl-palmitoyl)-2-palmitoleoyl-GPC (p-16:0/16:1) 1-(1-Enyl-palmitoyl)-2-palmitoleoyl-sn-glycero-3-phosphocholine GPC(p-16:0/16:1) PC(p-16:0/16:1) Gpcho(16:0/16:1) Gpcho(16:0/16:1n7) Gpcho(16:0/16:1W7) Gpcho(32:1) 1-(1Z-Hexadecenyl)-2-palmitoleoyl-GPC 1-(1Z-Hexadecenyl)-2-palmitoleoyl-sn-glycero-3-phosphocholine 1-(1Z-Hexadecenyl)-2-palmitoleoyl-sn-glycero-phosphatidylcholine GPC(16:1/16:1) GPC(32:2) GPC(O-16:1(1Z)/16:1(9Z)) GPC(O-16:1(1Z)/16:1n7) GPC(O-16:1(1Z)/16:1W7) GPC(p-16:0/16:1(9Z)) GPC(p-16:0/16:1n7) GPC(p-16:0/16:1W7) GPCho(16:1/16:1) GPCho(32:2) GPCho(O-16:1(1Z)/16:1(9Z)) GPCho(O-16:1(1Z)/16:1n7) GPCho(O-16:1(1Z)/16:1W7) GPCho(p-16:0/16:1(9Z)) GPCho(p-16:0/16:1n7) GPCho(p-16:0/16:1W7) PC(16:1/16:1) PC(32:2) PC(O-16:1(1Z)/16:1(9Z)) PC(O-16:1(1Z)/16:1n7) PC(O-16:1(1Z)/16:1W7) PC(p-16:0/16:1n7) PC(p-16:0/16:1W7) Phosphatidylcholine(16:1/16:1) Phosphatidylcholine(32:2) Phosphatidylcholine(O-16:1(1Z)/16:1(9Z)) Phosphatidylcholine(O-16:1(1Z)/16:1n7) Phosphatidylcholine(O-16:1(1Z)/16:1W7) Phosphatidylcholine(p-16:0/16:1(9Z)) Phosphatidylcholine(p-16:0/16:1n7) Phosphatidylcholine(p-16:0/16:1W7) PC(P-16:0/16:1(9Z)) C40H78NO7P 716.0236 715.551590367 (2-{[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium (2-{[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium 204983-72-2 CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/b19-17-,35-32-/t39-/m1/s1 FZMYLOBGNYZPQO-QLSONYGBSA-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 1-(1Z-alkenyl),2-acylglycerophosphocholines Solid logp 5.62 ALOGPS logs -7.44 ALOGPS logp 8.14 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (2-{[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium ChemAxon average_mass 716.0236 ChemAxon mono_mass 715.551590367 ChemAxon smiles CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C40H78NO7P ChemAxon inchi InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,32,35,39H,6-16,18,20-31,33-34,36-38H2,1-5H3/b19-17-,35-32-/t39-/m1/s1 ChemAxon inchikey FZMYLOBGNYZPQO-QLSONYGBSA-N ChemAxon polar_surface_area 94.12 ChemAxon refractivity 217.32 ChemAxon polarizability 88.2 ChemAxon rotatable_bond_count 38 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 288820 Specdb::MsMs 288821 Specdb::MsMs 288822 Specdb::MsMs 328069 Specdb::MsMs 328070 Specdb::MsMs 328071 Specdb::MsMs 2371687 Specdb::MsMs 2371688 Specdb::MsMs 2371689 Specdb::MsMs 2665201 Specdb::MsMs 2665202 Specdb::MsMs 2665203 Specdb::MsMs 3016512 Specdb::MsMs 3016513 Specdb::MsMs 3016514 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 Placenta 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 24767482 52923882 84562 FDB027962