1.0 2020-04-20 18:55:50 UTC 2025-11-19 03:11:32 UTC FDB112263 LysoPC(P-18:1(9Z)/0:0) C26H52NO6P 505.6679 505.353224913 (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium [H][C@@](O)(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1 KJUNGQXFZYMUOH-FKWLWHCOSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphocholines. These are glycerophosphocholines that carry exactly one 1Z-alkenyl chain attached at the O1 position of a glycerol moiety through an ether linkage. 1-(1Z-alkenyl)-glycero-3-phosphocholines Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Aliphatic acyclic compounds Amines Dialkyl phosphates Glycerol vinyl ethers Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Phosphocholines Secondary alcohols Tetraalkylammonium salts 1-(1z-alkenyl)-glycero-3-phosphocholine Alcohol Aliphatic acyclic compound Alkyl phosphate Amine Dialkyl phosphate Glycerol vinyl ether Hydrocarbon derivative 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 1Z-alkenylglycerophosphocholines logp 2.80 ALOGPS logs -6.37 ALOGPS solubility 2.40e-04 g/l ALOGPS logp 2.11 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2-{[(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium ChemAxon average_mass 505.6679 ChemAxon mono_mass 505.353224913 ChemAxon smiles [H][C@@](O)(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C ChemAxon formula C26H52NO6P ChemAxon inchi InChI=1S/C26H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,20,22,26,28H,5-11,14-19,21,23-25H2,1-4H3/b13-12-,22-20-/t26-/m1/s1 ChemAxon inchikey KJUNGQXFZYMUOH-FKWLWHCOSA-N ChemAxon polar_surface_area 88.05 ChemAxon refractivity 152.93 ChemAxon polarizability 58.84 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17891 Specdb::CMs 39517 Specdb::NmrOneD 330882 Specdb::NmrOneD 330883 Specdb::NmrOneD 330884 Specdb::NmrOneD 330885 Specdb::NmrOneD 330886 Specdb::NmrOneD 330887 Specdb::NmrOneD 330888 Specdb::NmrOneD 330889 Specdb::NmrOneD 330890 Specdb::NmrOneD 330891 Specdb::NmrOneD 330892 Specdb::NmrOneD 330893 Specdb::NmrOneD 330894 Specdb::NmrOneD 330895 Specdb::NmrOneD 330896 Specdb::NmrOneD 330897 Specdb::NmrOneD 330898 Specdb::NmrOneD 330899 Specdb::NmrOneD 330900 Specdb::NmrOneD 330901 Specdb::MsMs 305617 Specdb::MsMs 305618 Specdb::MsMs 305619 Specdb::MsMs 349051 Specdb::MsMs 349052 Specdb::MsMs 349053 Specdb::MsMs 2317241 Specdb::MsMs 2317242 Specdb::MsMs 2317243 Specdb::MsMs 2622197 Specdb::MsMs 2622198 Specdb::MsMs 2622199 Specdb::MsMs 2703599 Specdb::MsMs 2703600 Specdb::MsMs 2703601 HMDB0010408 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823