1.0 2016-10-03 18:15:01 UTC 2020-05-11 19:14:28 UTC BMDB0011238 BMDB11238 PC(P-18:0/15:0) 1-(1-Enyl-stearoyl)-2-pentadecanoyl-sn-glycero-3-phosphocholine Gpcho(18:0/15:0) Gpcho(33:0) 1-(1Z-Octadecenyl)-2-pentadecanoyl-GPC 1-(1Z-Octadecenyl)-2-pentadecanoyl-sn-glycero-3-phosphocholine 1-(1Z-Octadecenyl)-2-pentadecanoyl-sn-glycero-phosphatidylcholine GPC(18:1/15:0) GPC(33:1) GPC(O-18:1(1Z)/15:0) GPC(p-18:0/15:0) GPCho(18:1/15:0) GPCho(33:1) GPCho(O-18:1(1Z)/15:0) GPCho(p-18:0/15:0) PC(18:1/15:0) PC(33:1) PC(O-18:1(1Z)/15:0) Phosphatidylcholine(18:1/15:0) Phosphatidylcholine(33:1) Phosphatidylcholine(O-18:1(1Z)/15:0) Phosphatidylcholine(p-18:0/15:0) C41H82NO7P 732.066 731.582890495 trimethyl(2-{[(2R)-3-[(1Z)-octadec-1-en-1-yloxy]-2-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium trimethyl(2-{[(2R)-3-[(1Z)-octadec-1-en-1-yloxy]-2-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/b36-33-/t40-/m1/s1 YMQWMWYMLSUPHY-DZGZMTAISA-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 5.87 ALOGPS logs -7.53 ALOGPS logp 8.95 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac trimethyl(2-{[(2R)-3-[(1Z)-octadec-1-en-1-yloxy]-2-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium ChemAxon average_mass 732.066 ChemAxon mono_mass 731.582890495 ChemAxon smiles CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C41H82NO7P ChemAxon inchi InChI=1S/C41H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h33,36,40H,6-32,34-35,37-39H2,1-5H3/b36-33-/t40-/m1/s1 ChemAxon inchikey YMQWMWYMLSUPHY-DZGZMTAISA-N ChemAxon polar_surface_area 94.12 ChemAxon refractivity 220.8 ChemAxon polarizability 92.01 ChemAxon rotatable_bond_count 40 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 2775089 Specdb::MsMs 2775090 Specdb::MsMs 2775091 Specdb::MsMs 2806832 Specdb::MsMs 2806833 Specdb::MsMs 2806834 Specdb::MsMs 2906646 Specdb::MsMs 2906647 Specdb::MsMs 2906648 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 24767513 52923930 FDB027989