1.0 2020-03-06 06:48:55 UTC 2020-04-22 17:28:29 UTC BMDB0078495 BMDB78495 TG(13:0/13:0/20:0) 1-animal fats-2-animal fats-3-eicosanoyl-glycerol TG(46:0) Triacylglycerol 1-tridecyloyl-2-tridecyloyl-3-arachidonyl-glycerol Tracylglycerol(13:0/13:0/20:0) TAG(46:0) Triglyceride Tracylglycerol(46:0) TAG(13:0/13:0/20:0) TG(13:0/13:0/20:0) (2S)-2,3-Bis(tridecanoyloxy)propyl icosanoic acid C49H94O6 779.285 778.705040747 (2S)-2,3-bis(tridecanoyloxy)propyl icosanoate (2S)-2,3-bis(tridecanoyloxy)propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 CDFYQWLPSLTBDC-DXQCBLCSSA-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 10.54 ALOGPS logs -7.80 ALOGPS logp 18.04 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(tridecanoyloxy)propyl icosanoate ChemAxon average_mass 779.285 ChemAxon mono_mass 778.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC ChemAxon formula C49H94O6 ChemAxon inchi InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 ChemAxon inchikey CDFYQWLPSLTBDC-DXQCBLCSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 232.09 ChemAxon polarizability 105.02 ChemAxon rotatable_bond_count 48 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::CMs 214788 Specdb::MsMs 614698 Specdb::MsMs 614699 Specdb::MsMs 614700 Specdb::MsMs 2471196 Specdb::MsMs 2471197 Specdb::MsMs 2471198 Specdb::MsMs 2790081 Specdb::MsMs 2790082 Specdb::MsMs 2790083 Specdb::MsMs 2899050 Specdb::MsMs 2899051 Specdb::MsMs 2899052 Specdb::MsMs 2915096 Specdb::MsMs 2915097 Specdb::MsMs 2915098 Specdb::MsMs 2958396 Specdb::MsMs 2958397 Specdb::MsMs 2958398 FDB068891 74861084 131805275