1.0 2018-06-25 21:49:29 UTC 2020-05-21 16:27:18 UTC BMDB0062084 BMDB62084 TG(14:0/14:0/18:0) TG(14:0/14:0/18:0) 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. TG(14:0/14:0/18:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:0/14:0/18:0) can be biosynthesized from DG(14:0/14:0/0:0) and stearoyl-CoA through the action of the enzyme diacylglycerol O-acyltransferase. In cattle, TG(14:0/14:0/18:0) is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/14:0/18:0) pathway. Triacylglycerol TAG(46:0) Triglyceride Tracylglycerol(14:0/14:0/18:0) TAG(14:0/14:0/18:0) Tracylglycerol(46:0) 1-Myristoyl-2-myristoyl-3-stearoyl-glycerol 1-Tetradecanoyl-2-tetradecanoyl-3-octadecanoyl-glycerol TG(46:0) TG(14:0/14:0/18:0) C49H94O6 779.285 778.705040747 (2S)-2,3-bis(tetradecanoyloxy)propyl octadecanoate (2S)-2,3-bis(tetradecanoyloxy)propyl octadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 YQLXPOXDXQWEKE-DXQCBLCSSA-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 Solid logp 18.04 Extrapolated logp 10.53 ALOGPS logs -7.80 ALOGPS logp 18.04 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(tetradecanoyloxy)propyl octadecanoate ChemAxon average_mass 779.285 ChemAxon mono_mass 778.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C49H94O6 ChemAxon inchi InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1 ChemAxon inchikey YQLXPOXDXQWEKE-DXQCBLCSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 232.09 ChemAxon polarizability 104.93 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::MsMs 183662 Specdb::MsMs 364645 Specdb::MsMs 364646 Specdb::MsMs 364647 Specdb::MsMs 2277878 Specdb::MsMs 2277879 Specdb::MsMs 2277880 Specdb::MsMs 2596312 Specdb::MsMs 2596313 Specdb::MsMs 2596314 Specdb::MsMs 2738899 Specdb::MsMs 2738900 Specdb::MsMs 2738901 Specdb::MsMs 2969997 Specdb::MsMs 2969998 Specdb::MsMs 2969999 Specdb::MsMs 3021795 Specdb::MsMs 3021796 Specdb::MsMs 3021797 Milk Mottram HR, Evershed RP: Elucidation of the composition of bovine milk fat triacylglycerols using high-performance liquid chromatography-atmospheric pressure chemical ionisation mass spectrometry. J Chromatogr A. 2001 Aug 17;926(2):239-53. 11556330 131753211 Mottram HR, Evershed RP: Elucidation of the composition of bovine milk fat triacylglycerols using high-performance liquid chromatography-atmospheric pressure chemical ionisation mass spectrometry. J Chromatogr A. 2001 Aug 17;926(2):239-53. 11556330 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme