1.0 2020-03-07 03:03:09 UTC 2020-04-22 17:42:05 UTC BMDB0080647 BMDB80647 TG(14:0/10:0/16:0) 1-hexadecanoyl-2-animal fats-3-tetradecanoyl-glycerol Triacylglycerol 1-palmitoyl-2-decanoic acid-3-myristoyl-glycerol Triglyceride Tracylglycerol(16:0/10:0/14:0) TAG(16:0/10:0/14:0) TG(40:0) TG(16:0/10:0/14:0) TAG(40:0) Tracylglycerol(40:0) C43H82O6 695.123 694.61114036 (2R)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate (2R)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-26-15-12-9-6-3)38-47-41(44)35-32-29-27-24-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 ZREWTUFFLBYMRK-RRHRGVEJSA-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 10.19 ALOGPS logs -7.74 ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-26-15-12-9-6-3)38-47-41(44)35-32-29-27-24-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 ChemAxon inchikey ZREWTUFFLBYMRK-RRHRGVEJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.24 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::MsMs 638215 Specdb::MsMs 638216 Specdb::MsMs 638217 Specdb::MsMs 2441047 Specdb::MsMs 2441048 Specdb::MsMs 2441049 Specdb::MsMs 2741551 Specdb::MsMs 2741552 Specdb::MsMs 2741553 Specdb::MsMs 2862571 Specdb::MsMs 2862572 Specdb::MsMs 2862573 Specdb::MsMs 2940716 Specdb::MsMs 2940717 Specdb::MsMs 2940718 Specdb::MsMs 3033869 Specdb::MsMs 3033870 Specdb::MsMs 3033871 Specdb::CMs 226182 FDB075372 74867485 131811697