1.0 2020-03-07 16:16:14 UTC 2020-04-22 18:51:40 UTC BMDB0091669 BMDB91669 TG(19:0/16:0/14:0) Tracylglycerol(19:0/16:0/14:0) 1--2-Palmitoyl-3-myristoyl-glycerol Triacylglycerol Triglyceride Tracylglycerol(49:0) TAG(49:0) TG(49:0) 1-Nonadecanoyl-2-hexadecanoyl-3-tetradecanoyl-glycerol TAG(19:0/16:0/14:0) 1-Nonadecanoyl-2-palmitoyl-3-myristoyl-glycerol TG(19:0/16:0/14:0) C52H100O6 821.366 820.75199094 (2R)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl nonadecanoate (2R)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl nonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1 XCCDPQAPFNDDFT-ANFMRNGASA-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 Triacylglycerols logp 10.61 ALOGPS logs -7.85 ALOGPS logp 19.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-(tetradecanoyloxy)propyl nonadecanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h49H,4-48H2,1-3H3/t49-/m1/s1 ChemAxon inchikey XCCDPQAPFNDDFT-ANFMRNGASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.89 ChemAxon polarizability 111.29 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 198688 Specdb::MsMs 614389 Specdb::MsMs 614390 Specdb::MsMs 614391 Specdb::MsMs 2401916 Specdb::MsMs 2401917 Specdb::MsMs 2401918 Specdb::MsMs 2467067 Specdb::MsMs 2467068 Specdb::MsMs 2467069 Specdb::MsMs 2533848 Specdb::MsMs 2533849 Specdb::MsMs 2533850 Specdb::MsMs 2890156 Specdb::MsMs 2890157 Specdb::MsMs 2890158 Specdb::MsMs 3097744 Specdb::MsMs 3097745 Specdb::MsMs 3097746 74874169 FDB082108 56938020