1.0 2020-03-04 20:55:35 UTC 2020-04-22 16:34:20 UTC BMDB0069988 BMDB69988 TG(i-21:0/19:0/15:0) 1-isoheneicosanoyl-2-nonadecyloyl-3-pentadecanoyl-glycerol TG(i-21:0/19:0/15:0) TG(55:0) Tag(i-21:0/19:0/15:0) Tag(55:0) Triacylglycerol(i-21:0/19:0/15:0) Triacylglycerol(55:0) Triacylglycerol Triglyceride 1-isoheneicosanoyl-2-nonadecanoyl-3-pentadecanoyl-glycerol Tracylglycerol(i-21:0/19:0/15:0) Tracylglycerol(55:0) C58H112O6 905.528 904.845891326 (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 19-methylicosanoate (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 19-methylicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-20-23-27-31-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-37-33-29-18-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-26-24-21-22-25-28-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1 JQQLBYQXEJPDIH-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 10.58 ALOGPS logs -7.91 ALOGPS logp 21.88 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(nonadecanoyloxy)-3-(pentadecanoyloxy)propyl 19-methylicosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-20-23-27-31-35-39-43-47-51-58(61)64-55(52-62-56(59)49-45-41-37-33-29-18-16-14-12-10-8-6-2)53-63-57(60)50-46-42-38-34-30-26-24-21-22-25-28-32-36-40-44-48-54(3)4/h54-55H,5-53H2,1-4H3/t55-/m1/s1 ChemAxon inchikey JQQLBYQXEJPDIH-KZRJWCEASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.44 ChemAxon polarizability 123.98 ChemAxon rotatable_bond_count 56 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 605530 Specdb::MsMs 605531 Specdb::MsMs 605532 Specdb::MsMs 2309295 Specdb::MsMs 2309296 Specdb::MsMs 2309297 Specdb::MsMs 2640001 Specdb::MsMs 2640002 Specdb::MsMs 2640003 Specdb::MsMs 2656339 Specdb::MsMs 2656340 Specdb::MsMs 2656341 Specdb::MsMs 2716995 Specdb::MsMs 2716996 Specdb::MsMs 2716997 Specdb::MsMs 3099259 Specdb::MsMs 3099260 Specdb::MsMs 3099261 Specdb::CMs 241782 FDB038631 131774136