1.0 2020-03-06 06:08:54 UTC 2020-04-22 17:24:32 UTC BMDB0077871 BMDB77871 TG(i-12:0/i-24:0/19:0) 1-isododecanoyl-2-isotetracosanoyl-3-nonadecanoyl-glycerol Triacylglycerol TG(i-12:0/i-24:0/19:0) TAG(55:0) Triglyceride Tracylglycerol(55:0) Tracylglycerol(i-12:0/i-24:0/19:0) TAG(i-12:0/i-24:0/19:0) TG(55:0) (2R)-1-[(10-Methylundecanoyl)oxy]-3-(nonadecanoyloxy)propan-2-yl 22-methyltricosanoic acid C58H112O6 905.528 904.845891326 (2R)-1-[(10-methylundecanoyl)oxy]-3-(nonadecanoyloxy)propan-2-yl 22-methyltricosanoate (2R)-1-[(10-methylundecanoyl)oxy]-3-(nonadecanoyloxy)propan-2-yl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-13-14-20-23-26-29-32-38-43-48-56(59)62-51-55(52-63-57(60)49-44-39-35-34-37-42-47-54(4)5)64-58(61)50-45-40-33-30-27-24-21-18-16-15-17-19-22-25-28-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m1/s1 IXRJDXMWYSVBCN-KZRJWCEASA-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 10.48 ALOGPS logs -7.92 ALOGPS logp 21.72 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(10-methylundecanoyl)oxy]-3-(nonadecanoyloxy)propan-2-yl 22-methyltricosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-6-7-8-9-10-11-12-13-14-20-23-26-29-32-38-43-48-56(59)62-51-55(52-63-57(60)49-44-39-35-34-37-42-47-54(4)5)64-58(61)50-45-40-33-30-27-24-21-18-16-15-17-19-22-25-28-31-36-41-46-53(2)3/h53-55H,6-52H2,1-5H3/t55-/m1/s1 ChemAxon inchikey IXRJDXMWYSVBCN-KZRJWCEASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.39 ChemAxon polarizability 123.62 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 602296 Specdb::MsMs 602297 Specdb::MsMs 602298 Specdb::MsMs 2263783 Specdb::MsMs 2263784 Specdb::MsMs 2263785 Specdb::MsMs 2664829 Specdb::MsMs 2664830 Specdb::MsMs 2664831 Specdb::MsMs 2731024 Specdb::MsMs 2731025 Specdb::MsMs 2731026 Specdb::MsMs 2975243 Specdb::MsMs 2975244 Specdb::MsMs 2975245 Specdb::MsMs 3009109 Specdb::MsMs 3009110 Specdb::MsMs 3009111 FDB068267 74860464 131804653