1.0 2016-10-03 18:05:53 UTC 2020-05-11 19:11:22 UTC BMDB0010401 BMDB10401 LysoPC(22:4(7Z,10Z,13Z,16Z)) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-glycero-3-phosphocholine 1-Adrenoyl-glycero-3-phosphocholine 1-Adrenoyl-GPC 1-Adrenoyl-GPC (22:4) 1-Adrenoyl-sn-glycero-3-phosphocholine GPC(22:4) GPC(22:4/0:0) LPC(22:4(7Z,10Z,13Z,16Z)/0:0) LPC(22:4) LPC(22:4/0:0) LPC(22:4n6/0:0) LPC(22:4W6/0:0) LyPC(22:4) LyPC(22:4/0:0) LyPC(22:4n6/0:0) LyPC(22:4W6/0:0) LysoPC(22:4) LysoPC(22:4/0:0) LysoPC(22:4n6/0:0) LysoPC(22:4W6/0:0) Lysophosphatidylcholine(22:4) Lysophosphatidylcholine(22:4/0:0) Lysophosphatidylcholine(22:4n6/0:0) Lysophosphatidylcholine(22:4W6/0:0) PC(22:4(7Z,10Z,13Z,16Z)/0:0) LysoPC(22:4(7Z,10Z,13Z,16Z)) 1-Adrenoylglycerophosphocholine C30H54NO7P 571.726 571.363789599 (2-{[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1 ZOJBSSVHFSBHMP-JJJSWPRASA-N belongs to the class of organic compounds known as 1-acyl-sn-glycero-3-phosphocholines. These are glycerophosphocholines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphocholine. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1-acyl-sn-glycero-3-phosphocholines Amines Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Secondary alcohols Tetraalkylammonium salts 1-acyl-sn-glycero-3-phosphocholine Alcohol Aliphatic acyclic compound Alkyl phosphate Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl phosphate Fatty acid ester Fatty acyl 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 Secondary alcohol Tetraalkylammonium salt Aliphatic acyclic compounds Monoacylglycerophosphocholines Solid logp 3.03 ALOGPS logs -6.64 ALOGPS logp 2.41 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 571.726 ChemAxon mono_mass 571.363789599 ChemAxon smiles CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C30H54NO7P ChemAxon inchi InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1 ChemAxon inchikey ZOJBSSVHFSBHMP-JJJSWPRASA-N ChemAxon polar_surface_area 105.12 ChemAxon refractivity 174.35 ChemAxon polarizability 65.17 ChemAxon rotatable_bond_count 26 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 39510 Specdb::CMs 282373 Specdb::CMs 369556 Specdb::MsMs 2584163 Specdb::MsMs 2584164 Specdb::MsMs 2584165 Specdb::MsMs 2689466 Specdb::MsMs 2689467 Specdb::MsMs 2689468 Specdb::MsMs 2709824 Specdb::MsMs 2709825 Specdb::MsMs 2709826 Specdb::MsMs 2995931 Specdb::MsMs 2995932 Specdb::MsMs 2995933 Specdb::MsMs 3116268 Specdb::MsMs 3116269 Specdb::MsMs 3116270 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 24766536 133657 52924039 FDB027552 C04230 PHOSPHATIDYLCHOLINE