1.0 2020-03-07 09:10:05 UTC 2020-04-22 18:11:08 UTC BMDB0085241 BMDB85241 TG(i-16:0/13:0/i-21:0) 1-isohexadecanoyl-2-animal fats-3-isoheneicosanoyl-glycerol 1-isohexadecanoyl-2-tridecyloyl-3-isoheneicosanoyl-glycerol Triacylglycerol Triglyceride Tracylglycerol(i-16:0/13:0/i-21:0) TG(50:0) Tracylglycerol(50:0) TAG(50:0) TAG(i-16:0/13:0/i-21:0) TG(i-16:0/13:0/i-21:0) (2R)-3-[(14-Methylpentadecanoyl)oxy]-2-(tridecanoyloxy)propyl 19-methylicosanoic acid C53H102O6 835.393 834.767641004 (2R)-3-[(14-methylpentadecanoyl)oxy]-2-(tridecanoyloxy)propyl 19-methylicosanoate (2R)-3-[(14-methylpentadecanoyl)oxy]-2-(tridecanoyloxy)propyl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC InChI=1S/C53H102O6/c1-6-7-8-9-10-11-23-30-35-40-45-53(56)59-50(47-58-52(55)44-39-34-29-25-20-19-22-27-32-37-42-49(4)5)46-57-51(54)43-38-33-28-24-18-16-14-12-13-15-17-21-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1 UZRPLLRGTIWOJE-VCZQVZGSSA-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. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols 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 Aliphatic acyclic compounds logp 10.37 ALOGPS logs -7.90 ALOGPS logp 19.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(14-methylpentadecanoyl)oxy]-2-(tridecanoyloxy)propyl 19-methylicosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-6-7-8-9-10-11-23-30-35-40-45-53(56)59-50(47-58-52(55)44-39-34-29-25-20-19-22-27-32-37-42-49(4)5)46-57-51(54)43-38-33-28-24-18-16-14-12-13-15-17-21-26-31-36-41-48(2)3/h48-50H,6-47H2,1-5H3/t50-/m1/s1 ChemAxon inchikey UZRPLLRGTIWOJE-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.39 ChemAxon polarizability 113.12 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 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 584152 Specdb::MsMs 584153 Specdb::MsMs 584154 Specdb::MsMs 2274102 Specdb::MsMs 2274103 Specdb::MsMs 2274104 Specdb::MsMs 2462817 Specdb::MsMs 2462818 Specdb::MsMs 2462819 Specdb::MsMs 2499239 Specdb::MsMs 2499240 Specdb::MsMs 2499241 Specdb::MsMs 2997269 Specdb::MsMs 2997270 Specdb::MsMs 2997271 Specdb::MsMs 3026304 Specdb::MsMs 3026305 Specdb::MsMs 3026306 Specdb::CMs 216304 FDB075681 74867793 131812000