1.0 2020-03-04 19:00:07 UTC 2020-05-21 16:29:21 UTC BMDB0066534 BMDB66534 TG(i-20:0/12:0/18:0) 1-isoeicosanoyl-2-lauroyl-3-stearoyl-glycerol TG(i-20:0/12:0/18:0) TG(50:0) Tag(i-20:0/12:0/18:0) Tag(50:0) Triacylglycerol(i-20:0/12:0/18:0) Triacylglycerol(50:0) Triacylglycerol Triglyceride 1-isoeicosanoyl-2-dodecanoyl-3-octadecanoyl-glycerol 1-isoeicosanoyl-2-dodecanoyl-3-stearoyl-glycerol Tracylglycerol(i-20:0/12:0/18:0) Tracylglycerol(50:0) C53H102O6 835.393 834.767641004 (2R)-2-(dodecanoyloxy)-3-(octadecanoyloxy)propyl 18-methylnonadecanoate (2R)-2-(dodecanoyloxy)-3-(octadecanoyloxy)propyl 18-methylnonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC InChI=1S/C53H102O6/c1-5-7-9-11-13-15-16-17-18-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-27-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-20-19-21-24-28-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 ZBAAFMYAZFJMBO-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 10.50 ALOGPS logs -7.89 ALOGPS logp 19.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(dodecanoyloxy)-3-(octadecanoyloxy)propyl 18-methylnonadecanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-5-7-9-11-13-15-16-17-18-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-27-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-20-19-21-24-28-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 ChemAxon inchikey ZBAAFMYAZFJMBO-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.44 ChemAxon polarizability 113.38 ChemAxon rotatable_bond_count 51 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 630016 Specdb::MsMs 630017 Specdb::MsMs 630018 Specdb::MsMs 2279225 Specdb::MsMs 2279226 Specdb::MsMs 2279227 Specdb::MsMs 2587825 Specdb::MsMs 2587826 Specdb::MsMs 2587827 Specdb::MsMs 2686371 Specdb::MsMs 2686372 Specdb::MsMs 2686373 Specdb::MsMs 3052427 Specdb::MsMs 3052428 Specdb::MsMs 3052429 Specdb::MsMs 3115450 Specdb::MsMs 3115451 Specdb::MsMs 3115452 131770818 FDB035190 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme