1.0 2020-03-07 04:38:14 UTC 2020-04-22 17:44:53 UTC BMDB0081092 BMDB81092 TG(14:0/a-15:0/12:0)[rac] 1-tetradecanoyl-2-anteisopentadecanoyl-3-dodecanoyl-glycerol TG(14:0/a-15:0/12:0) TG(14:0/a-15:0/12:0)[rac] Triacylglycerol TAG(41:0) Triglyceride TAG(14:0/a-15:0/12:0) 1-myristoyl-2-anteisopentadecanoyl-3-dodecanoyl-glycerol Tracylglycerol(14:0/a-15:0/12:0) Tracylglycerol(41:0) TG(41:0) C44H84O6 709.15 708.626790425 (2R)-1-(dodecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl 12-methyltetradecanoate (2R)-1-(dodecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl 12-methyltetradecanoate [H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C44H84O6/c1-5-8-10-12-14-16-17-19-24-28-32-36-43(46)49-39-41(38-48-42(45)35-31-27-23-18-15-13-11-9-6-2)50-44(47)37-33-29-25-21-20-22-26-30-34-40(4)7-3/h40-41H,5-39H2,1-4H3/t40?,41-/m1/s1 QZERRMUNNAGPMB-PUOOBJKZSA-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 10.08 ALOGPS logs -7.74 ALOGPS logp 15.65 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(dodecanoyloxy)-3-(tetradecanoyloxy)propan-2-yl 12-methyltetradecanoate ChemAxon average_mass 709.15 ChemAxon mono_mass 708.626790425 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C44H84O6 ChemAxon inchi InChI=1S/C44H84O6/c1-5-8-10-12-14-16-17-19-24-28-32-36-43(46)49-39-41(38-48-42(45)35-31-27-23-18-15-13-11-9-6-2)50-44(47)37-33-29-25-21-20-22-26-30-34-40(4)7-3/h40-41H,5-39H2,1-4H3/t40?,41-/m1/s1 ChemAxon inchikey QZERRMUNNAGPMB-PUOOBJKZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 209.03 ChemAxon polarizability 93.75 ChemAxon rotatable_bond_count 42 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 224880 Specdb::MsMs 574093 Specdb::MsMs 574094 Specdb::MsMs 574095 Specdb::MsMs 2471907 Specdb::MsMs 2471908 Specdb::MsMs 2471909 Specdb::MsMs 2669914 Specdb::MsMs 2669915 Specdb::MsMs 2669916 Specdb::MsMs 2808944 Specdb::MsMs 2808945 Specdb::MsMs 2808946 Specdb::MsMs 2899296 Specdb::MsMs 2899297 Specdb::MsMs 2899298 Specdb::MsMs 3008089 Specdb::MsMs 3008090 Specdb::MsMs 3008091 FDB071488 74863661 131807865