1.0 2016-10-03 18:05:37 UTC 2020-05-11 19:11:11 UTC BMDB0010388 BMDB10388 LysoPC(18:3(9Z,12Z,15Z)) 1-(9Z,12Z,15Z-Octadecatrienoyl)-sn-glycero-3-phosphocholine 1-18:3-LysoPC 1-18:3-Lysophosphatidylcholine 1-[(9Z,12Z,15Z)-Octadec-9,12,15-trienoyl]-sn-glycero-3-phosphocholine 1-[(9Z,12Z,15Z)-Octadecatrienoyl]-sn-glycero-3-phosphocholine 1-alpha-Linolenoyl-glycero-3-phosphocholine 1-Linolenoyl-GPC 1-Linolenoyl-GPC (18:3) 1-Linolenoyl-sn-glycero-3-phosphocholine GPC(18:3) GPC(18:3/0:0) LPC(18:3) LPC(18:3/0:0) LPC(18:3n3/0:0) LysoPC(18:3(9Z,12Z,15Z)) LysoPC(18:3) LysoPC(18:3/0:0) LysoPC(18:3n3/0:0) Lysophosphatidylcholine(18:3) Lysophosphatidylcholine(18:3/0:0) Lysophosphatidylcholine(18:3n3/0:0) PC(18:3(9Z,12Z,15Z)/0:0) PC(18:3) PC(18:3/0:0) 1-a-Linolenoyl-glycero-3-phosphocholine 1-Α-linolenoyl-glycero-3-phosphocholine LyPC(18:3/0:0) LyPC(18:3) 1-(9Z,12Z,15Z-Octadeatrienoyl)-glycero-3-phosphocholine 1-Linolenoylglycerophosphocholine 1-a-Linolenoyl-sn-glycero-3-phosphocholine 1-Α-linolenoyl-sn-glycero-3-phosphocholine C26H48NO7P 517.6356 517.316839407 (2-{[(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1 WKQNRCYKYCKESD-YVHLTTHBSA-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 2.01 ALOGPS logs -6.15 ALOGPS logp 1 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 517.6356 ChemAxon mono_mass 517.316839407 ChemAxon smiles CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C26H48NO7P ChemAxon inchi InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1 ChemAxon inchikey WKQNRCYKYCKESD-YVHLTTHBSA-N ChemAxon polar_surface_area 105.12 ChemAxon refractivity 154.83 ChemAxon polarizability 57.69 ChemAxon rotatable_bond_count 23 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 39497 Specdb::MsMs 2388005 Specdb::MsMs 2388006 Specdb::MsMs 2388007 Specdb::MsMs 2427199 Specdb::MsMs 2427200 Specdb::MsMs 2427201 Specdb::MsMs 2829991 Specdb::MsMs 2829992 Specdb::MsMs 2829993 Specdb::MsMs 2852896 Specdb::MsMs 2852897 Specdb::MsMs 2852898 Specdb::MsMs 2925259 Specdb::MsMs 2925260 Specdb::MsMs 2925261 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 24779469 133456 CPD-8348