1.0 2020-03-06 04:15:31 UTC 2020-04-22 17:12:59 UTC BMDB0076051 BMDB76051 TG(8:0/13:0/i-19:0) 1-capryloyl-2-tridecyloyl-3-isononadecanoyl-glycerol TG(8:0/13:0/i-19:0) TG(40:0) Tag(8:0/13:0/i-19:0) Tag(40:0) Triacylglycerol(8:0/13:0/i-19:0) Triacylglycerol(40:0) Triacylglycerol Triglyceride 1-capryloyl-2-animal fats-3-isononadecanoyl-glycerol Tracylglycerol(8:0/13:0/i-19:0) Tracylglycerol(40:0) 1-octanoyl-2-tridecyloyl-3-isononadecanoyl-glycerol C43H82O6 695.123 694.61114036 (2S)-3-(octanoyloxy)-2-(tridecanoyloxy)propyl 17-methyloctadecanoate (2S)-3-(octanoyloxy)-2-(tridecanoyloxy)propyl 17-methyloctadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC InChI=1S/C43H82O6/c1-5-7-9-11-12-13-20-24-28-32-36-43(46)49-40(37-47-41(44)34-30-25-10-8-6-2)38-48-42(45)35-31-27-23-21-18-16-14-15-17-19-22-26-29-33-39(3)4/h39-40H,5-38H2,1-4H3/t40-/m0/s1 WUSIZLOJZDPPCB-FAIXQHPJSA-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 10.02 ALOGPS logs -7.74 ALOGPS logp 15.21 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(octanoyloxy)-2-(tridecanoyloxy)propyl 17-methyloctadecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-5-7-9-11-12-13-20-24-28-32-36-43(46)49-40(37-47-41(44)34-30-25-10-8-6-2)38-48-42(45)35-31-27-23-21-18-16-14-15-17-19-22-26-29-33-39(3)4/h39-40H,5-38H2,1-4H3/t40-/m0/s1 ChemAxon inchikey WUSIZLOJZDPPCB-FAIXQHPJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.43 ChemAxon polarizability 91.78 ChemAxon rotatable_bond_count 41 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 677506 Specdb::MsMs 677507 Specdb::MsMs 677508 Specdb::MsMs 2306124 Specdb::MsMs 2306125 Specdb::MsMs 2306126 Specdb::MsMs 2306226 Specdb::MsMs 2306227 Specdb::MsMs 2306228 Specdb::MsMs 2412337 Specdb::MsMs 2412338 Specdb::MsMs 2412339 Specdb::MsMs 2549407 Specdb::MsMs 2549408 Specdb::MsMs 2549409 Specdb::MsMs 3051272 Specdb::MsMs 3051273 Specdb::MsMs 3051274 131779475 FDB044682