1.0 2020-03-04 20:14:16 UTC 2020-05-21 16:29:22 UTC BMDB0068760 BMDB68760 TG(i-21:0/12:0/17:0) 1-isoheneicosanoyl-2-lauroyl-3-margaroyl-glycerol TG(i-21:0/12:0/17:0) TG(50:0) Tag(i-21:0/12:0/17:0) Tag(50:0) Triacylglycerol(i-21:0/12:0/17:0) Triacylglycerol(50:0) Triacylglycerol Triglyceride 1-isoheneicosanoyl-2-dodecanoyl-3-margaroyl-glycerol Tracylglycerol(i-21:0/12:0/17:0) 1-isoheneicosanoyl-2-dodecanoyl-3-heptadecanoyl-glycerol Tracylglycerol(50:0) C53H102O6 835.393 834.767641004 (2R)-2-(dodecanoyloxy)-3-(heptadecanoyloxy)propyl 19-methylicosanoate (2R)-2-(dodecanoyloxy)-3-(heptadecanoyloxy)propyl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC InChI=1S/C53H102O6/c1-5-7-9-11-13-15-16-17-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-27-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-20-18-19-21-24-28-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 FMBKZNDRMIGSIZ-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 10.51 ALOGPS logs -7.89 ALOGPS logp 19.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(dodecanoyloxy)-3-(heptadecanoyloxy)propyl 19-methylicosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-5-7-9-11-13-15-16-17-22-25-29-32-36-40-44-51(54)57-47-50(59-53(56)46-42-38-34-27-14-12-10-8-6-2)48-58-52(55)45-41-37-33-30-26-23-20-18-19-21-24-28-31-35-39-43-49(3)4/h49-50H,5-48H2,1-4H3/t50-/m1/s1 ChemAxon inchikey FMBKZNDRMIGSIZ-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.44 ChemAxon polarizability 113.37 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::CMs 237044 Specdb::MsMs 631303 Specdb::MsMs 631304 Specdb::MsMs 631305 Specdb::MsMs 949249 Specdb::MsMs 949250 Specdb::MsMs 949251 Specdb::MsMs 2324788 Specdb::MsMs 2324789 Specdb::MsMs 2324790 Specdb::MsMs 2392465 Specdb::MsMs 2392466 Specdb::MsMs 2392467 Specdb::MsMs 2569745 Specdb::MsMs 2569746 Specdb::MsMs 2569747 Specdb::MsMs 2915426 Specdb::MsMs 2915427 Specdb::MsMs 2915428 Specdb::MsMs 2962530 Specdb::MsMs 2962531 Specdb::MsMs 2962532 131772970 FDB037410 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme