1.0 2019-08-07 22:06:22 UTC 2020-04-06 23:39:36 UTC FDB036855 TG(21:0/a-13:0/i-24:0)[rac] C61H118O6 947.609 946.89284152 (2S)-3-(henicosanoyloxy)-2-[(10-methyldodecanoyl)oxy]propyl 22-methyltricosanoate (2S)-3-(henicosanoyloxy)-2-[(10-methyldodecanoyl)oxy]propyl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC InChI=1S/C61H118O6/c1-6-8-9-10-11-12-13-14-15-16-20-23-26-29-32-35-41-46-51-59(62)65-54-58(67-61(64)53-48-43-38-37-40-45-50-57(5)7-2)55-66-60(63)52-47-42-36-33-30-27-24-21-18-17-19-22-25-28-31-34-39-44-49-56(3)4/h56-58H,6-55H2,1-5H3/t57?,58-/m0/s1 ULCKNVQJVWLIMR-ISBVVKTBSA-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 10.57 ALOGPS logs -7.93 ALOGPS solubility 1.12e-05 g/l ALOGPS logp 23.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(henicosanoyloxy)-2-[(10-methyldodecanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 947.609 ChemAxon mono_mass 946.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C61H118O6 ChemAxon inchi InChI=1S/C61H118O6/c1-6-8-9-10-11-12-13-14-15-16-20-23-26-29-32-35-41-46-51-59(62)65-54-58(67-61(64)53-48-43-38-37-40-45-50-57(5)7-2)55-66-60(63)52-47-42-36-33-30-27-24-21-18-17-19-22-25-28-31-34-39-44-49-56(3)4/h56-58H,6-55H2,1-5H3/t57?,58-/m0/s1 ChemAxon inchikey ULCKNVQJVWLIMR-ISBVVKTBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.2 ChemAxon polarizability 130.28 ChemAxon rotatable_bond_count 58 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 213229 Specdb::MsMs 952756 Specdb::MsMs 952757 Specdb::MsMs 952758 Specdb::MsMs 2666689 Specdb::MsMs 2666690 Specdb::MsMs 2666691 Specdb::MsMs 639934 Specdb::MsMs 639935 Specdb::MsMs 639936 Specdb::MsMs 2446444 Specdb::MsMs 2446445 Specdb::MsMs 2446446 Specdb::MsMs 2667025 Specdb::MsMs 2667026 Specdb::MsMs 2667027 Specdb::MsMs 2867802 Specdb::MsMs 2867803 Specdb::MsMs 2867804 Specdb::MsMs 3011322 Specdb::MsMs 3011323 Specdb::MsMs 3011324 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