1.0 2018-06-25 21:47:31 UTC 2020-04-22 15:51:18 UTC BMDB0062059 BMDB62059 TG(14:0/14:0/14:0) Trimyristin, also known as tag(42:0) or TG 14:0/14:0/14:0, 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. Thus, trimyristin is considered to be a triradylglycerol lipid molecule. Trimyristin exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. Trimyristin exists in all eukaryotes, ranging from yeast to humans. In cattle, trimyristin is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/14:0/14:0) pathway. 1,2,3-Propanetriol tritetradecanoate 1,2,3-Trimyristoylglycerol 1,2,3-Tritetradecanoylglycerol Glycerol trimyristate Glyceryl trimyristate Glyceryl tritetradecanoate Myristic acid triglyceride Myristic triglyceride Myristin TAG(14:0/14:0/14:0) TAG(42:0) Tetradecanoic acid, 1,2,3-propanetriyl ester TG 14:0/14:0/14:0 TG(42:0) Tracylglycerol(14:0/14:0/14:0) Tracylglycerol(42:0) Trimyristoylglycerol Tritetradecanoylglycerol 1,2,3-Propanetriol tritetradecanoic acid Glycerol trimyristic acid Glyceryl trimyristic acid Glyceryl tritetradecanoic acid Myristate triglyceride Tetradecanoate, 1,2,3-propanetriyl ester 1,2,3-Tritetradecanoyl-rac-glycerol 1-Myristoyl-2-myristoyl-3-myristoyl-glycerol 1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerol 2,3-Bis(tetradecanoyloxy)propyl myristate Dynasan 114 Glycerol tritetradecanoate Myristin, tri- (8ci) Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester Tri-myristin Triacylglycerol Triglyceride Trimyristin TG(14:0/14:0/14:0) C45H86O6 723.1607 722.642440484 1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate trimyristin 555-45-3 [H]C(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3 DUXYWXYOBMKGIN-UHFFFAOYSA-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 triglyceride Solid melting_point 58.5 °C logp 16.26 Extrapolated logp 10.31 ALOGPS logs -7.74 ALOGPS logp 16.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate ChemAxon average_mass 723.1607 ChemAxon mono_mass 722.642440484 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C45H86O6 ChemAxon inchi InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3 ChemAxon inchikey DUXYWXYOBMKGIN-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 213.68 ChemAxon polarizability 96.81 ChemAxon rotatable_bond_count 44 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 De Novo Triacylglycerol Biosynthesis TG(14:0/14:0/14:0) SMP0072652 Specdb::CMs 27947 Specdb::CMs 102320 Specdb::CMs 238939 Specdb::MsMs 573805 Specdb::MsMs 573806 Specdb::MsMs 573807 Specdb::MsMs 2429569 Specdb::MsMs 2429570 Specdb::MsMs 2429571 Specdb::MsMs 2774579 Specdb::MsMs 2774580 Specdb::MsMs 2774581 Specdb::MsMs 2857770 Specdb::MsMs 2857771 Specdb::MsMs 2857772 Specdb::MsMs 2904762 Specdb::MsMs 2904763 Specdb::MsMs 2904764 Specdb::MsMs 3116814 Specdb::MsMs 3116815 Specdb::MsMs 3116816 Specdb::NmrOneD 4491 Specdb::NmrOneD 4618 Specdb::NmrOneD 318871 Specdb::NmrOneD 318872 Specdb::NmrOneD 318873 Specdb::NmrOneD 318874 Specdb::NmrOneD 318875 Specdb::NmrOneD 318876 Specdb::NmrOneD 318877 Specdb::NmrOneD 318878 Specdb::NmrOneD 318879 Specdb::NmrOneD 318880 Specdb::NmrOneD 318881 Specdb::NmrOneD 318882 Specdb::NmrOneD 318883 Specdb::NmrOneD 318884 Specdb::NmrOneD 318885 Specdb::NmrOneD 318886 Specdb::NmrOneD 318887 Specdb::NmrOneD 318888 Specdb::NmrOneD 318889 Specdb::NmrOneD 318890 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 Milk Raw milk, by GC-MS and RP-UPLC-Qtrap Tang C, Zhang K, Zhan T, Zhao Q, Zhang J: Metabolic Characterization of Dairy Cows Treated with Gossypol by Blood Biochemistry and Body Fluid Untargeted Metabolome Analyses. J Agric Food Chem. 2017 Oct 25;65(42):9369-9378. doi: 10.1021/acs.jafc.7b03544. Epub 2017 Oct 17. 28965405 10675 11148 FDB002889 77391 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 Tang C, Zhang K, Zhan T, Zhao Q, Zhang J: Metabolic Characterization of Dairy Cows Treated with Gossypol by Blood Biochemistry and Body Fluid Untargeted Metabolome Analyses. J Agric Food Chem. 2017 Oct 25;65(42):9369-9378. doi: 10.1021/acs.jafc.7b03544. Epub 2017 Oct 17. 28965405