1.0 2018-07-17 17:43:37 UTC 2020-05-21 16:27:24 UTC BMDB0062493 BMDB62493 TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) TG(14:1(9Z)/14:1(9Z)/16:1(9Z)), also known as tag(14:1/14:1/16:1) or tag(44:3), 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(14:1(9Z)/14:1(9Z)/16:1(9Z)) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) can be biosynthesized from DG(14:1(9Z)/14:1(9Z)/0:0) and palmitoleyl-CoA; which is mediated by the enzyme diacylglycerol O-acyltransferase. In cattle, TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) pathway. 1-(9Z-Tetradecenoyl)-2-(9Z-tetradecenoyl)-3-(9Z-hexadecenoyl)-glycerol 1-Myristoleoyl-2-myristoleoyl-3-palmitoleoyl-glycerol TAG(14:1/14:1/16:1) TAG(44:3) TG(14:1/14:1/16:1) TG(44:3) Tracylglycerol(14:1/14:1/16:1) Tracylglycerol(44:3) Triacylglycerol Triglyceride TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) C47H84O6 745.183 744.626790425 (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-/t44-/m0/s1 SVKNSUKRPRJLMQ-QSDZTSERSA-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 16.06 Extrapolated logp 10.38 ALOGPS logs -7.99 ALOGPS logp 16.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (9Z)-hexadec-9-enoate ChemAxon average_mass 745.183 ChemAxon mono_mass 744.626790425 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C47H84O6 ChemAxon inchi InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-/t44-/m0/s1 ChemAxon inchikey SVKNSUKRPRJLMQ-QSDZTSERSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 226.24 ChemAxon polarizability 96.33 ChemAxon rotatable_bond_count 43 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(14:1(9Z)/14:1(9Z)/16:1(9Z)) SMP0073090 Specdb::MsMs 571213 Specdb::MsMs 571214 Specdb::MsMs 571215 Specdb::MsMs 924934 Specdb::MsMs 924935 Specdb::MsMs 924936 Specdb::MsMs 2306475 Specdb::MsMs 2306476 Specdb::MsMs 2306477 Specdb::MsMs 2445193 Specdb::MsMs 2445194 Specdb::MsMs 2445195 Specdb::MsMs 2494079 Specdb::MsMs 2494080 Specdb::MsMs 2494081 Specdb::MsMs 2516694 Specdb::MsMs 2516695 Specdb::MsMs 2516696 Specdb::MsMs 2809505 Specdb::MsMs 2809506 Specdb::MsMs 2809507 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 131758727 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