1.0 2020-03-04 19:05:47 UTC 2020-04-22 16:14:28 UTC BMDB0066852 BMDB66852 TG(i-20:0/i-17:0/i-21:0) 1-isoeicosanoyl-2-isoheptadecanoyl-3-isoheneicosanoyl-glycerol TG(i-20:0/i-17:0/i-21:0) TG(58:0) Tag(i-20:0/i-17:0/i-21:0) Tag(58:0) Triacylglycerol(i-20:0/i-17:0/i-21:0) Triacylglycerol(58:0) Triacylglycerol Triglyceride Tracylglycerol(i-20:0/i-17:0/i-21:0) Tracylglycerol(58:0) C61H118O6 947.609 946.89284152 (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propyl 19-methylicosanoate (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propyl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C InChI=1S/C61H118O6/c1-55(2)47-41-35-29-23-17-12-8-7-9-14-20-26-32-38-44-50-59(62)65-53-58(67-61(64)52-46-40-34-28-22-16-19-25-31-37-43-49-57(5)6)54-66-60(63)51-45-39-33-27-21-15-11-10-13-18-24-30-36-42-48-56(3)4/h55-58H,7-54H2,1-6H3/t58-/m1/s1 ZWLFPLPTOOSFPK-QPUWJJAWSA-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 10.34 ALOGPS logs -7.95 ALOGPS logp 22.9 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(18-methylnonadecanoyl)oxy]propyl 19-methylicosanoate ChemAxon average_mass 947.609 ChemAxon mono_mass 946.89284152 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C ChemAxon formula C61H118O6 ChemAxon inchi InChI=1S/C61H118O6/c1-55(2)47-41-35-29-23-17-12-8-7-9-14-20-26-32-38-44-50-59(62)65-53-58(67-61(64)52-46-40-34-28-22-16-19-25-31-37-43-49-57(5)6)54-66-60(63)51-45-39-33-27-21-15-11-10-13-18-24-30-36-42-48-56(3)4/h55-58H,7-54H2,1-6H3/t58-/m1/s1 ChemAxon inchikey ZWLFPLPTOOSFPK-QPUWJJAWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.14 ChemAxon polarizability 129.9 ChemAxon rotatable_bond_count 57 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 670459 Specdb::MsMs 670460 Specdb::MsMs 670461 Specdb::MsMs 964789 Specdb::MsMs 964790 Specdb::MsMs 964791 Specdb::MsMs 2264982 Specdb::MsMs 2264983 Specdb::MsMs 2264984 Specdb::MsMs 2400615 Specdb::MsMs 2400616 Specdb::MsMs 2400617 Specdb::MsMs 2710664 Specdb::MsMs 2710665 Specdb::MsMs 2710666 Specdb::MsMs 2929524 Specdb::MsMs 2929525 Specdb::MsMs 2929526 Specdb::MsMs 3074076 Specdb::MsMs 3074077 Specdb::MsMs 3074078 131771127 FDB035507