1.0 2020-03-07 15:58:37 UTC 2020-04-22 18:49:59 UTC BMDB0091400 BMDB91400 TG(19:0/14:0/17:0) Triglyceride TG(50:0) Tracylglycerol(50:0) TAG(50:0) 1--2-myristoyl-3-heptadecanoyl-glycerol Tracylglycerol(19:0/14:0/17:0) TAG(19:0/14:0/17:0) TG(19:0/14:0/17:0) 1-nonadecanoyl-2-tetradecanoyl-3-margaroyl-glycerol 1-nonadecanoyl-2-myristoyl-3-heptadecanoyl-glycerol Triacylglycerol (2R)-3-(Heptadecanoyloxy)-2-(tetradecanoyloxy)propyl nonadecanoic acid C53H102O6 835.393 834.767641004 (2R)-3-(heptadecanoyloxy)-2-(tetradecanoyloxy)propyl nonadecanoate (2R)-3-(heptadecanoyloxy)-2-(tetradecanoyloxy)propyl nonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1 QQCUXWRANVNUST-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 10.64 ALOGPS logs -7.88 ALOGPS logp 19.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(heptadecanoyloxy)-2-(tetradecanoyloxy)propyl nonadecanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-27-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-30-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-28-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1 ChemAxon inchikey QQCUXWRANVNUST-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.49 ChemAxon polarizability 113.49 ChemAxon rotatable_bond_count 52 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 672796 Specdb::MsMs 672797 Specdb::MsMs 672798 Specdb::MsMs 2383157 Specdb::MsMs 2383158 Specdb::MsMs 2383159 Specdb::MsMs 2455803 Specdb::MsMs 2455804 Specdb::MsMs 2455805 Specdb::MsMs 2582495 Specdb::MsMs 2582496 Specdb::MsMs 2582497 Specdb::MsMs 2661502 Specdb::MsMs 2661503 Specdb::MsMs 2661504 Specdb::MsMs 3073344 Specdb::MsMs 3073345 Specdb::MsMs 3073346 FDB081839 74873900 131818041