1.0 2020-03-04 23:55:02 UTC 2020-04-22 16:51:40 UTC BMDB0072718 BMDB72718 TG(i-24:0/a-13:0/i-19:0)[rac] 1-isotetracosanoyl-2-anteisotridecanoyl-3-isononadecanoyl-glycerol TG(i-24:0/a-13:0/i-19:0) TG(56:0) Tag(i-24:0/a-13:0/i-19:0) Tag(56:0) Triacylglycerol(i-24:0/a-13:0/i-19:0) Triacylglycerol(56:0) Triacylglycerol Triglyceride Tracylglycerol(56:0) TG(i-24:0/a-13:0/i-19:0)[rac] Tracylglycerol(i-24:0/a-13:0/i-19:0) C59H114O6 919.555 918.861541391 (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC InChI=1S/C59H114O6/c1-7-55(6)47-41-35-31-32-38-44-50-59(62)65-56(52-64-58(61)49-43-37-30-26-22-18-14-16-20-24-28-34-40-46-54(4)5)51-63-57(60)48-42-36-29-25-21-17-13-11-9-8-10-12-15-19-23-27-33-39-45-53(2)3/h53-56H,7-52H2,1-6H3/t55?,56-/m0/s1 GELMHYWQVFIXJT-POGSWUJUSA-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 -7.95 ALOGPS logp 22.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 919.555 ChemAxon mono_mass 918.861541391 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C59H114O6 ChemAxon inchi InChI=1S/C59H114O6/c1-7-55(6)47-41-35-31-32-38-44-50-59(62)65-56(52-64-58(61)49-43-37-30-26-22-18-14-16-20-24-28-34-40-46-54(4)5)51-63-57(60)48-42-36-29-25-21-17-13-11-9-8-10-12-15-19-23-27-33-39-45-53(2)3/h53-56H,7-52H2,1-6H3/t55?,56-/m0/s1 ChemAxon inchikey GELMHYWQVFIXJT-POGSWUJUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 277.94 ChemAxon polarizability 125.67 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::MsMs 680887 Specdb::MsMs 680888 Specdb::MsMs 680889 Specdb::MsMs 2272344 Specdb::MsMs 2272345 Specdb::MsMs 2272346 Specdb::MsMs 2452270 Specdb::MsMs 2452271 Specdb::MsMs 2452272 Specdb::MsMs 2483494 Specdb::MsMs 2483495 Specdb::MsMs 2483496 Specdb::MsMs 2625107 Specdb::MsMs 2625108 Specdb::MsMs 2625109 Specdb::MsMs 2732214 Specdb::MsMs 2732215 Specdb::MsMs 2732216 FDB041344 131776507