1.0 2020-03-07 07:35:25 UTC 2020-04-22 18:01:56 UTC BMDB0083791 BMDB83791 TG(i-15:0/18:0/14:0) 1-isopentadecanoyl-2-octadecanoyl-3-tetradecanoyl-glycerol Triacylglycerol Triglyceride TAG(i-15:0/18:0/14:0) 1-isopentadecanoyl-2-stearoyl-3-myristoyl-glycerol TG(i-15:0/18:0/14:0) TG(47:0) Tracylglycerol(47:0) TAG(47:0) Tracylglycerol(i-15:0/18:0/14:0) C50H96O6 793.312 792.720690811 (2R)-1-[(13-methyltetradecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl octadecanoate (2R)-1-[(13-methyltetradecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl octadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C50H96O6/c1-5-7-9-11-13-15-17-18-19-20-22-26-31-35-39-43-50(53)56-47(44-54-48(51)41-37-33-29-25-21-16-14-12-10-8-6-2)45-55-49(52)42-38-34-30-27-23-24-28-32-36-40-46(3)4/h46-47H,5-45H2,1-4H3/t47-/m1/s1 TZCJQZHOEYPNKY-QZNUWAOFSA-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 10.41 ALOGPS logs -7.83 ALOGPS logp 18.32 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(13-methyltetradecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 793.312 ChemAxon mono_mass 792.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C50H96O6 ChemAxon inchi InChI=1S/C50H96O6/c1-5-7-9-11-13-15-17-18-19-20-22-26-31-35-39-43-50(53)56-47(44-54-48(51)41-37-33-29-25-21-16-14-12-10-8-6-2)45-55-49(52)42-38-34-30-27-23-24-28-32-36-40-46(3)4/h46-47H,5-45H2,1-4H3/t47-/m1/s1 ChemAxon inchikey TZCJQZHOEYPNKY-QZNUWAOFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 236.64 ChemAxon polarizability 106.81 ChemAxon rotatable_bond_count 48 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 224205 Specdb::MsMs 661336 Specdb::MsMs 661337 Specdb::MsMs 661338 Specdb::MsMs 2294934 Specdb::MsMs 2294935 Specdb::MsMs 2294936 Specdb::MsMs 2369316 Specdb::MsMs 2369317 Specdb::MsMs 2369318 Specdb::MsMs 2568938 Specdb::MsMs 2568939 Specdb::MsMs 2568940 Specdb::MsMs 3013808 Specdb::MsMs 3013809 Specdb::MsMs 3013810 Specdb::MsMs 3044953 Specdb::MsMs 3044954 Specdb::MsMs 3044955 FDB074228 74866349 131810555