1.0 2020-03-05 03:34:09 UTC 2020-04-22 16:51:51 UTC BMDB0072749 BMDB72749 TG(a-25:0/16:0/a-13:0)[rac] 1-anteisopentacosanoyl-2-palmitoyl-3-anteisotridecanoyl-glycerol TG(a-25:0/16:0/a-13:0) TG(54:0) Tag(a-25:0/16:0/a-13:0) Tag(54:0) Triacylglycerol(a-25:0/16:0/a-13:0) Triacylglycerol(54:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-hexadecanoyl-3-anteisotridecanoyl-glycerol Tracylglycerol(a-25:0/16:0/a-13:0) TG(a-25:0/16:0/a-13:0)[rac] Tracylglycerol(54:0) C57H110O6 891.501 890.830241262 (2S)-2-(hexadecanoyloxy)-3-[(10-methyldodecanoyl)oxy]propyl 22-methyltetracosanoate (2S)-2-(hexadecanoyloxy)-3-[(10-methyldodecanoyl)oxy]propyl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C57H110O6/c1-6-9-10-11-12-13-14-21-26-29-32-39-44-49-57(60)63-54(51-62-56(59)48-43-38-34-33-36-41-46-53(5)8-3)50-61-55(58)47-42-37-31-28-25-23-20-18-16-15-17-19-22-24-27-30-35-40-45-52(4)7-2/h52-54H,6-51H2,1-5H3/t52?,53?,54-/m0/s1 UCAQXGFLTNQYSB-OKTFGQEQSA-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 10.61 ALOGPS logs -7.93 ALOGPS logp 21.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-[(10-methyldodecanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 891.501 ChemAxon mono_mass 890.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C57H110O6 ChemAxon inchi InChI=1S/C57H110O6/c1-6-9-10-11-12-13-14-21-26-29-32-39-44-49-57(60)63-54(51-62-56(59)48-43-38-34-33-36-41-46-53(5)8-3)50-61-55(58)47-42-37-31-28-25-23-20-18-16-15-17-19-22-24-27-30-35-40-45-52(4)7-2/h52-54H,6-51H2,1-5H3/t52?,53?,54-/m0/s1 ChemAxon inchikey UCAQXGFLTNQYSB-OKTFGQEQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 268.79 ChemAxon polarizability 121.28 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 681784 Specdb::MsMs 681785 Specdb::MsMs 681786 Specdb::MsMs 2408785 Specdb::MsMs 2408786 Specdb::MsMs 2408787 Specdb::MsMs 2766719 Specdb::MsMs 2766720 Specdb::MsMs 2766721 Specdb::MsMs 2911838 Specdb::MsMs 2911839 Specdb::MsMs 2911840 Specdb::MsMs 2945838 Specdb::MsMs 2945839 Specdb::MsMs 2945840 Specdb::MsMs 3049388 Specdb::MsMs 3049389 Specdb::MsMs 3049390 Specdb::CMs 192646 FDB041375 131776535