1.0 2020-03-07 13:52:31 UTC 2020-04-22 18:37:51 UTC BMDB0089480 BMDB89480 TG(18:0/13:0/14:0) 1-octadecanoyl-2-animal fats-3-tetradecanoyl-glycerol Tracylglycerol(45:0) TG(45:0) Triacylglycerol 1-stearoyl-2-tridecyloyl-3-myristoyl-glycerol TG(18:0/13:0/14:0) Triglyceride TAG(45:0) TAG(18:0/13:0/14:0) Tracylglycerol(18:0/13:0/14:0) (2R)-3-(Tetradecanoyloxy)-2-(tridecanoyloxy)propyl octadecanoic acid C48H92O6 765.258 764.689390682 (2R)-3-(tetradecanoyloxy)-2-(tridecanoyloxy)propyl octadecanoate (2R)-3-(tetradecanoyloxy)-2-(tridecanoyloxy)propyl octadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-23-24-25-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m1/s1 MEXXWVFCBGSTDE-WBVITSLISA-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 10.50 ALOGPS logs -7.79 ALOGPS logp 17.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(tetradecanoyloxy)-2-(tridecanoyloxy)propyl octadecanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-23-24-25-27-30-32-35-38-41-47(50)53-44-45(54-48(51)42-39-36-33-28-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-29-26-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/t45-/m1/s1 ChemAxon inchikey MEXXWVFCBGSTDE-WBVITSLISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.49 ChemAxon polarizability 102.81 ChemAxon rotatable_bond_count 47 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 591844 Specdb::MsMs 591845 Specdb::MsMs 591846 Specdb::MsMs 2351281 Specdb::MsMs 2351282 Specdb::MsMs 2351283 Specdb::MsMs 2437213 Specdb::MsMs 2437214 Specdb::MsMs 2437215 Specdb::MsMs 2528847 Specdb::MsMs 2528848 Specdb::MsMs 2528849 Specdb::MsMs 2562825 Specdb::MsMs 2562826 Specdb::MsMs 2562827 Specdb::MsMs 2988770 Specdb::MsMs 2988771 Specdb::MsMs 2988772 FDB079919 74871989 131816201