1.0 2018-07-17 17:26:34 UTC 2020-05-21 16:27:19 UTC BMDB0062294 BMDB62294 TG(14:0/15:0/18:1(9Z)) TG(14:0/15:0/18:1(9Z)), also known as tag(47:1) or tracylglycerol(47:1), 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(14:0/15:0/18:1(9Z)) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:0/15:0/18:1(9Z)) can be biosynthesized from DG(14:0/15:0/0:0) and oleoyl-CoA; which is catalyzed by the enzyme diacylglycerol O-acyltransferase. In cattle, TG(14:0/15:0/18:1(9Z)) is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/15:0/18:1(9Z)) pathway. 1-Myristoyl-2-pentadecanoyl-3-oleoyl-glycerol 1-Tetradecanoyl-2-pentadecanoyl-3-(9Z-octadecenoyl)-glycerol TAG(14:0/15:0/18:1) TAG(47:1) TG(14:0/15:0/18:1) TG(47:1) Tracylglycerol(14:0/15:0/18:1) Tracylglycerol(47:1) Triacylglycerol Triglyceride TG(14:0/15:0/18:1(9Z)) C50H94O6 791.296 790.705040747 (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (9Z)-octadec-9-enoate (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (9Z)-octadec-9-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-/t47-/m0/s1 LPFCBOFEKLNOFO-BQDYWPKPSA-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 18.12 Extrapolated logp 10.58 ALOGPS logs -7.84 ALOGPS logp 18.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (9Z)-octadec-9-enoate ChemAxon average_mass 791.296 ChemAxon mono_mass 790.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C50H94O6 ChemAxon inchi InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-25-26-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h24-25,47H,4-23,26-46H2,1-3H3/b25-24-/t47-/m0/s1 ChemAxon inchikey LPFCBOFEKLNOFO-BQDYWPKPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 237.81 ChemAxon polarizability 105.55 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 De Novo Triacylglycerol Biosynthesis TG(14:0/15:0/18:1(9Z)) SMP0072714 Specdb::MsMs 612763 Specdb::MsMs 612764 Specdb::MsMs 612765 Specdb::MsMs 2276760 Specdb::MsMs 2276761 Specdb::MsMs 2276762 Specdb::MsMs 2622914 Specdb::MsMs 2622915 Specdb::MsMs 2622916 Specdb::MsMs 2796179 Specdb::MsMs 2796180 Specdb::MsMs 2796181 Specdb::MsMs 2885570 Specdb::MsMs 2885571 Specdb::MsMs 2885572 Specdb::MsMs 3027141 Specdb::MsMs 3027142 Specdb::MsMs 3027143 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 131753247 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 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme