1.0 2020-03-04 20:25:13 UTC 2020-05-21 16:29:12 UTC BMDB0069376 BMDB69376 TG(21:0/16:0/16:0) 1-heneicosyloyl-2-palmitoyl-3-palmitoyl-glycerol TG(53:0) Tag(21:0/16:0/16:0) Tag(53:0) Triacylglycerol(21:0/16:0/16:0) Triacylglycerol(53:0) Triacylglycerol Triglyceride TG(21:0/16:0/16:0) 1-heneicosyloyl-2-hexadecanoyl-3-hexadecanoyl-glycerol Tracylglycerol(21:0/16:0/16:0) Triacylglycerol TAG(21:0/16:0/16:0) TAG(53:0) Tracylglycerol(53:0) TG(53:0) 1-heneicosyloyl-2-palmitoyl-3-palmitoyl-glycerol C56H108O6 877.474 876.814591198 (2R)-2,3-bis(hexadecanoyloxy)propyl henicosanoate (2R)-2,3-bis(hexadecanoyloxy)propyl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1 ZJUXHXMIKPSINE-IONAWPRUSA-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 Triacylglycerols logp 10.67 ALOGPS logs -7.89 ALOGPS logp 21.15 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis(hexadecanoyloxy)propyl henicosanoate ChemAxon average_mass 877.474 ChemAxon mono_mass 876.814591198 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C56H108O6 ChemAxon inchi InChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1 ChemAxon inchikey ZJUXHXMIKPSINE-IONAWPRUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.3 ChemAxon polarizability 119.94 ChemAxon rotatable_bond_count 55 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::CMs 211413 Specdb::MsMs 608152 Specdb::MsMs 608153 Specdb::MsMs 608154 Specdb::MsMs 2414194 Specdb::MsMs 2414195 Specdb::MsMs 2414196 Specdb::MsMs 2454595 Specdb::MsMs 2454596 Specdb::MsMs 2454597 Specdb::MsMs 2672771 Specdb::MsMs 2672772 Specdb::MsMs 2672773 Specdb::MsMs 2942833 Specdb::MsMs 2942834 Specdb::MsMs 2942835 Specdb::MsMs 3032873 Specdb::MsMs 3032874 Specdb::MsMs 3032875 9544181 FDB038025 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme