1.0 2016-10-03 18:05:49 UTC 2020-05-11 19:11:20 UTC BMDB0010398 BMDB10398 LysoPC(22:0) 1-Behenoyl-glycero-3-phosphocholine LPC(22:0) LPC(22:0/0:0) LyPC(22:0) LyPC(22:0/0:0) Lysophosphatidylcholine(22:0) Lysophosphatidylcholine(22:0/0:0) 1-Docosanoyl-glycero-3-phosphocholine LysoPC(22:0) 1-Behenoylglycerophosphocholine 1-Docosanoylglycerophosphocholine LysoPC(22:0/0:0) C30H62NO7P 579.7895 579.426389855 (2-{[(2R)-3-(docosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium (2-{[(2R)-3-(docosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C30H62NO7P/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/h29,32H,5-28H2,1-4H3/t29-/m1/s1 UIINDYGXBHJQHX-GDLZYMKVSA-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 3.70 ALOGPS logs -6.90 ALOGPS logp 3.86 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-3-(docosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium ChemAxon average_mass 579.7895 ChemAxon mono_mass 579.426389855 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C30H62NO7P ChemAxon inchi InChI=1S/C30H62NO7P/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/h29,32H,5-28H2,1-4H3/t29-/m1/s1 ChemAxon inchikey UIINDYGXBHJQHX-GDLZYMKVSA-N ChemAxon polar_surface_area 105.12 ChemAxon refractivity 169.88 ChemAxon polarizability 70.92 ChemAxon rotatable_bond_count 30 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 39507 Specdb::CMs 282530 Specdb::CMs 391876 Specdb::MsMs 2264044 Specdb::MsMs 2264045 Specdb::MsMs 2264046 Specdb::MsMs 2305260 Specdb::MsMs 2305261 Specdb::MsMs 2305262 Specdb::MsMs 2350183 Specdb::MsMs 2350184 Specdb::MsMs 2350185 Specdb::MsMs 3048848 Specdb::MsMs 3048849 Specdb::MsMs 3048850 Specdb::MsMs 3074940 Specdb::MsMs 3074941 Specdb::MsMs 3074942 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 24766533 24779479 FDB027549 C04230 PHOSPHATIDYLCHOLINE