1.0 2020-03-07 15:20:11 UTC 2020-04-22 18:46:15 UTC BMDB0090808 BMDB90808 TG(i-18:0/i-24:0/a-13:0)[rac] 1-isooctadecanoyl-2-isotetracosanoyl-3-anteisotridecanoyl-glycerol Tracylglycerol(i-18:0/i-24:0/a-13:0) Triacylglycerol TG(i-18:0/i-24:0/a-13:0)[rac] TAG(55:0) TAG(i-18:0/i-24:0/a-13:0) Triglyceride Tracylglycerol(55:0) TG(55:0) TG(i-18:0/i-24:0/a-13:0) (2S)-1-[(10-Methyldodecanoyl)oxy]-3-[(16-methylheptadecanoyl)oxy]propan-2-yl 22-methyltricosanoic acid C58H112O6 905.528 904.845891326 (2S)-1-[(10-methyldodecanoyl)oxy]-3-[(16-methylheptadecanoyl)oxy]propan-2-yl 22-methyltricosanoate (2S)-1-[(10-methyldodecanoyl)oxy]-3-[(16-methylheptadecanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C58H112O6/c1-7-54(6)46-40-34-30-31-36-42-48-57(60)63-51-55(50-62-56(59)47-41-35-28-24-20-17-16-19-23-27-33-39-45-53(4)5)64-58(61)49-43-37-29-25-21-15-13-11-9-8-10-12-14-18-22-26-32-38-44-52(2)3/h52-55H,7-51H2,1-6H3/t54?,55-/m0/s1 VAOVRCRVZGFKHG-OIHVTOTMSA-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 -7.95 ALOGPS logp 21.56 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(10-methyldodecanoyl)oxy]-3-[(16-methylheptadecanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-7-54(6)46-40-34-30-31-36-42-48-57(60)63-51-55(50-62-56(59)47-41-35-28-24-20-17-16-19-23-27-33-39-45-53(4)5)64-58(61)49-43-37-29-25-21-15-13-11-9-8-10-12-14-18-22-26-32-38-44-52(2)3/h52-55H,7-51H2,1-6H3/t54?,55-/m0/s1 ChemAxon inchikey VAOVRCRVZGFKHG-OIHVTOTMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.34 ChemAxon polarizability 123.4 ChemAxon rotatable_bond_count 54 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 568594 Specdb::MsMs 568595 Specdb::MsMs 568596 Specdb::MsMs 2668855 Specdb::MsMs 2668856 Specdb::MsMs 2668857 Specdb::MsMs 2828798 Specdb::MsMs 2828799 Specdb::MsMs 2828800 Specdb::MsMs 2853247 Specdb::MsMs 2853248 Specdb::MsMs 2853249 Specdb::MsMs 3031640 Specdb::MsMs 3031641 Specdb::MsMs 3031642 Specdb::MsMs 3079134 Specdb::MsMs 3079135 Specdb::MsMs 3079136 FDB081247 74873308 131817506