1.0 2020-03-07 02:33:43 UTC 2020-04-22 17:35:05 UTC BMDB0079539 BMDB79539 TG(a-13:0/18:0/19:0)[rac] 1-anteisotridecanoyl-2-octadecanoyl-3-nonadecanoyl-glycerol TG(a-13:0/18:0/19:0) Triacylglycerol 1-anteisotridecanoyl-2-stearoyl-3-nonadecanoyl-glycerol Triglyceride Tracylglycerol(a-13:0/18:0/19:0) TG(a-13:0/18:0/19:0)[rac] TG(50:0) Tracylglycerol(50:0) TAG(50:0) TAG(a-13:0/18:0/19:0) C53H102O6 835.393 834.767641004 (2R)-3-[(10-methyldodecanoyl)oxy]-2-(octadecanoyloxy)propyl nonadecanoate (2R)-3-[(10-methyldodecanoyl)oxy]-2-(octadecanoyloxy)propyl nonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C53H102O6/c1-5-8-10-12-14-16-18-20-22-24-25-27-29-31-36-40-44-51(54)57-47-50(48-58-52(55)45-41-37-34-33-35-39-43-49(4)7-3)59-53(56)46-42-38-32-30-28-26-23-21-19-17-15-13-11-9-6-2/h49-50H,5-48H2,1-4H3/t49?,50-/m1/s1 SCQVEHFRSDSAHU-RXFWMZJNSA-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 -7.89 ALOGPS logp 19.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(10-methyldodecanoyl)oxy]-2-(octadecanoyloxy)propyl nonadecanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-5-8-10-12-14-16-18-20-22-24-25-27-29-31-36-40-44-51(54)57-47-50(48-58-52(55)45-41-37-34-33-35-39-43-49(4)7-3)59-53(56)46-42-38-32-30-28-26-23-21-19-17-15-13-11-9-6-2/h49-50H,5-48H2,1-4H3/t49?,50-/m1/s1 ChemAxon inchikey SCQVEHFRSDSAHU-RXFWMZJNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.44 ChemAxon polarizability 112.96 ChemAxon rotatable_bond_count 51 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 211630 Specdb::MsMs 584896 Specdb::MsMs 584897 Specdb::MsMs 584898 Specdb::MsMs 2311547 Specdb::MsMs 2311548 Specdb::MsMs 2311549 Specdb::MsMs 2452633 Specdb::MsMs 2452634 Specdb::MsMs 2452635 Specdb::MsMs 2650223 Specdb::MsMs 2650224 Specdb::MsMs 2650225 Specdb::MsMs 2750845 Specdb::MsMs 2750846 Specdb::MsMs 2750847 Specdb::MsMs 2873984 Specdb::MsMs 2873985 Specdb::MsMs 2873986 FDB069935 74862118 131806319