1.0 2020-03-04 19:25:19 UTC 2020-04-22 16:20:10 UTC BMDB0067752 BMDB67752 TG(i-20:0/a-15:0/i-24:0) 1-isoeicosanoyl-2-anteisopentadecanoyl-3-isotetracosanoyl-glycerol TG(i-20:0/a-15:0/i-24:0) TG(59:0) Tag(i-20:0/a-15:0/i-24:0) Tag(59:0) Triacylglycerol(i-20:0/a-15:0/i-24:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride Tracylglycerol(i-20:0/a-15:0/i-24:0) Tracylglycerol(59:0) C62H120O6 961.636 960.908491584 (2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 22-methyltricosanoate (2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C62H120O6/c1-7-58(6)50-44-38-32-28-29-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-27-23-19-15-14-17-21-25-31-37-43-49-57(4)5)54-66-60(63)51-45-39-33-26-22-18-13-11-9-8-10-12-16-20-24-30-36-42-48-56(2)3/h56-59H,7-55H2,1-6H3/t58?,59-/m1/s1 FOYDQSRVJDZCPM-PFUDJBDGSA-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 10.44 ALOGPS logs -7.96 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-7-58(6)50-44-38-32-28-29-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-27-23-19-15-14-17-21-25-31-37-43-49-57(4)5)54-66-60(63)51-45-39-33-26-22-18-13-11-9-8-10-12-16-20-24-30-36-42-48-56(2)3/h56-59H,7-55H2,1-6H3/t58?,59-/m1/s1 ChemAxon inchikey FOYDQSRVJDZCPM-PFUDJBDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.74 ChemAxon polarizability 132.08 ChemAxon rotatable_bond_count 58 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 575725 Specdb::MsMs 575726 Specdb::MsMs 575727 Specdb::MsMs 926779 Specdb::MsMs 926780 Specdb::MsMs 926781 Specdb::MsMs 2285194 Specdb::MsMs 2285195 Specdb::MsMs 2285196 Specdb::MsMs 2456757 Specdb::MsMs 2456758 Specdb::MsMs 2456759 Specdb::MsMs 2886677 Specdb::MsMs 2886678 Specdb::MsMs 2886679 Specdb::MsMs 2962047 Specdb::MsMs 2962048 Specdb::MsMs 2962049 Specdb::MsMs 3080706 Specdb::MsMs 3080707 Specdb::MsMs 3080708 131772000 FDB036403