1.0 2020-04-20 19:11:18 UTC 2025-11-19 03:11:37 UTC FDB112295 LysoPE(P-16:0/0:0) C21H44NO6P 437.5509 437.290624657 (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy]phosphinic acid 2-aminoethoxy((2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy)phosphinic acid [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 QYTPGOPLNFESQC-NUTQULCTSA-N belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphoethanolamines. These are glycerophosphoglycerophosphates that carry exactly one 1Z-alkenyl chain attached to the glycerol moiety through an ether linkage. 1-(1Z-alkenyl)-glycero-3-phosphoethanolamines Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Aliphatic acyclic compounds Dialkyl phosphates Glycerol vinyl ethers Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Phosphoethanolamines Secondary alcohols 1-(1z-alkenyl)-glycero-3-phosphoethanolamine 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoethanolamine Phosphoric acid ester Primary aliphatic amine Primary amine Secondary alcohol 1Z-alkenylglycerophosphoethanolamines logp 4.63 ALOGPS logs -5.23 ALOGPS solubility 2.57e-03 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 1.87 ChemAxon pka_strongest_basic 10 ChemAxon iupac (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy]phosphinic acid ChemAxon average_mass 437.5509 ChemAxon mono_mass 437.290624657 ChemAxon smiles [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN ChemAxon formula C21H44NO6P ChemAxon inchi InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 ChemAxon inchikey QYTPGOPLNFESQC-NUTQULCTSA-N ChemAxon polar_surface_area 111.24 ChemAxon refractivity 117.75 ChemAxon polarizability 50.65 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24932 Specdb::CMs 39567 Specdb::CMs 163756 Specdb::NmrOneD 317701 Specdb::NmrOneD 317702 Specdb::NmrOneD 317703 Specdb::NmrOneD 317704 Specdb::NmrOneD 317705 Specdb::NmrOneD 317706 Specdb::NmrOneD 317707 Specdb::NmrOneD 317708 Specdb::NmrOneD 317709 Specdb::NmrOneD 317710 Specdb::NmrOneD 317711 Specdb::NmrOneD 317712 Specdb::NmrOneD 317713 Specdb::NmrOneD 317714 Specdb::NmrOneD 317715 Specdb::NmrOneD 317716 Specdb::NmrOneD 317717 Specdb::NmrOneD 317718 Specdb::NmrOneD 317719 Specdb::NmrOneD 317720 Specdb::MsMs 321232 Specdb::MsMs 321233 Specdb::MsMs 321234 Specdb::MsMs 368800 Specdb::MsMs 368801 Specdb::MsMs 368802 Specdb::MsMs 2499173 Specdb::MsMs 2499174 Specdb::MsMs 2499175 HMDB0011152 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