1.0 2020-03-04 20:47:45 UTC 2020-05-21 16:29:24 UTC BMDB0069867 BMDB69867 TG(i-21:0/i-21:0/18:0) 1-isoheneicosanoyl-2-isoheneicosanoyl-3-stearoyl-glycerol TG(i-21:0/i-21:0/18:0) TG(60:0) Tag(i-21:0/i-21:0/18:0) Tag(60:0) Triacylglycerol(i-21:0/i-21:0/18:0) Triacylglycerol(60:0) Triacylglycerol Triglyceride 1-isoheneicosanoyl-2-isoheneicosanoyl-3-octadecanoyl-glycerol Tracylglycerol(i-21:0/i-21:0/18:0) Tracylglycerol(60:0) C63H122O6 975.663 974.924141648 (2R)-1-[(19-methylicosanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 19-methylicosanoate (2R)-1-[(19-methylicosanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C InChI=1S/C63H122O6/c1-6-7-8-9-10-11-12-13-16-23-28-33-38-43-48-53-61(64)67-56-60(69-63(66)55-50-45-40-35-30-25-20-15-18-22-27-32-37-42-47-52-59(4)5)57-68-62(65)54-49-44-39-34-29-24-19-14-17-21-26-31-36-41-46-51-58(2)3/h58-60H,6-57H2,1-5H3/t60-/m1/s1 RUETXZADWYRSBP-AKAJXFOGSA-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 10.45 ALOGPS logs -7.94 ALOGPS logp 23.94 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(19-methylicosanoyl)oxy]-3-(octadecanoyloxy)propan-2-yl 19-methylicosanoate ChemAxon average_mass 975.663 ChemAxon mono_mass 974.924141648 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C63H122O6 ChemAxon inchi InChI=1S/C63H122O6/c1-6-7-8-9-10-11-12-13-16-23-28-33-38-43-48-53-61(64)67-56-60(69-63(66)55-50-45-40-35-30-25-20-15-18-22-27-32-37-42-47-52-59(4)5)57-68-62(65)54-49-44-39-34-29-24-19-14-17-21-26-31-36-41-46-51-58(2)3/h58-60H,6-57H2,1-5H3/t60-/m1/s1 ChemAxon inchikey RUETXZADWYRSBP-AKAJXFOGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.4 ChemAxon polarizability 134.42 ChemAxon rotatable_bond_count 60 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 204708 Specdb::MsMs 650395 Specdb::MsMs 650396 Specdb::MsMs 650397 Specdb::MsMs 2595187 Specdb::MsMs 2595188 Specdb::MsMs 2595189 Specdb::MsMs 2668639 Specdb::MsMs 2668640 Specdb::MsMs 2668641 Specdb::MsMs 2735141 Specdb::MsMs 2735142 Specdb::MsMs 2735143 Specdb::MsMs 2974602 Specdb::MsMs 2974603 Specdb::MsMs 2974604 Specdb::MsMs 3078759 Specdb::MsMs 3078760 Specdb::MsMs 3078761 131774023 FDB038512 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme