1.0 2019-08-08 00:55:02 UTC 2020-04-06 23:39:50 UTC FDB039228 TG(a-21:0/i-20:0/i-15:0)[rac] C59H114O6 919.555 918.861541391 (2S)-2-[(18-methylnonadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl 18-methylicosanoate (2S)-2-[(18-methylnonadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C59H114O6/c1-7-55(6)47-41-35-29-23-17-13-9-11-14-18-24-30-36-42-48-57(60)63-51-56(52-64-58(61)49-43-37-31-26-20-22-28-34-40-46-54(4)5)65-59(62)50-44-38-32-25-19-15-10-8-12-16-21-27-33-39-45-53(2)3/h53-56H,7-52H2,1-6H3/t55?,56-/m0/s1 CIZGPCGMEWLYNO-POGSWUJUSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 10.45 ALOGPS logs -7.95 ALOGPS solubility 1.02e-05 g/l ALOGPS logp 22.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(18-methylnonadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl 18-methylicosanoate ChemAxon average_mass 919.555 ChemAxon mono_mass 918.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C59H114O6 ChemAxon inchi InChI=1S/C59H114O6/c1-7-55(6)47-41-35-29-23-17-13-9-11-14-18-24-30-36-42-48-57(60)63-51-56(52-64-58(61)49-43-37-31-26-20-22-28-34-40-46-54(4)5)65-59(62)50-44-38-32-25-19-15-10-8-12-16-21-27-33-39-45-53(2)3/h53-56H,7-52H2,1-6H3/t55?,56-/m0/s1 ChemAxon inchikey CIZGPCGMEWLYNO-POGSWUJUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 277.94 ChemAxon polarizability 125.49 ChemAxon rotatable_bond_count 55 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 215985 Specdb::MsMs 591592 Specdb::MsMs 591593 Specdb::MsMs 591594 Specdb::MsMs 933235 Specdb::MsMs 933236 Specdb::MsMs 933237 Specdb::MsMs 2466677 Specdb::MsMs 2466678 Specdb::MsMs 2466679 Specdb::MsMs 2632490 Specdb::MsMs 2632491 Specdb::MsMs 2632492 Specdb::MsMs 2825998 Specdb::MsMs 2825999 Specdb::MsMs 2826000 Specdb::MsMs 2856915 Specdb::MsMs 2856916 Specdb::MsMs 2856917 Specdb::MsMs 2887673 Specdb::MsMs 2887674 Specdb::MsMs 2887675 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