1.0 2016-10-03 18:05:52 UTC 2020-05-11 19:11:21 UTC BMDB0010400 BMDB10400 LysoPC(22:2(13Z,16Z)) 1-Docosadienoyl-glycero-3-phosphocholine LPC(22:2) LPC(22:2/0:0) LPC(22:2n6/0:0) LPC(22:2W6/0:0) LyPC(22:2) LyPC(22:2/0:0) LyPC(22:2n6/0:0) LyPC(22:2W6/0:0) LysoPC(22:2) LysoPC(22:2/0:0) LysoPC(22:2n6/0:0) LysoPC(22:2W6/0:0) Lysophosphatidylcholine(22:2) Lysophosphatidylcholine(22:2/0:0) Lysophosphatidylcholine(22:2n6/0:0) Lysophosphatidylcholine(22:2W6/0:0) LysoPC(22:2(13Z,16Z)) 1-(13Z,16Z-Docosadienoyl)-glycero-3-phosphocholine 1-Docosadienoylglycerophosphocholine C30H58NO7P 575.7578 575.395089727 (2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C30H58NO7P/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/h9-10,12-13,29,32H,5-8,11,14-28H2,1-4H3/b10-9-,13-12-/t29-/m1/s1 YMGXOQLWSYJFSD-FALRGZJFSA-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 3.40 ALOGPS logs -6.81 ALOGPS logp 3.14 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-hydroxypropyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 575.7578 ChemAxon mono_mass 575.395089727 ChemAxon smiles CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C30H58NO7P ChemAxon inchi InChI=1S/C30H58NO7P/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/h9-10,12-13,29,32H,5-8,11,14-28H2,1-4H3/b10-9-,13-12-/t29-/m1/s1 ChemAxon inchikey YMGXOQLWSYJFSD-FALRGZJFSA-N ChemAxon polar_surface_area 105.12 ChemAxon refractivity 172.11 ChemAxon polarizability 67.95 ChemAxon rotatable_bond_count 28 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 20312 Specdb::CMs 39509 Specdb::CMs 282432 Specdb::CMs 374318 Specdb::MsMs 311260 Specdb::MsMs 311261 Specdb::MsMs 311262 Specdb::MsMs 356185 Specdb::MsMs 356186 Specdb::MsMs 356187 Specdb::MsMs 2404142 Specdb::MsMs 2404143 Specdb::MsMs 2404144 Specdb::MsMs 2432779 Specdb::MsMs 2432780 Specdb::MsMs 2432781 Specdb::MsMs 2466521 Specdb::MsMs 2466522 Specdb::MsMs 2466523 Specdb::MsMs 2502398 Specdb::MsMs 2502399 Specdb::MsMs 2502400 Specdb::MsMs 2939486 Specdb::MsMs 2939487 Specdb::MsMs 2939488 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 24766535 88952 52924059 FDB027551 C04230 PHOSPHATIDYLCHOLINE