1.0 2018-08-29 17:21:47 UTC 2020-06-04 20:17:42 UTC BMDB0063439 BMDB63439 TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] 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, TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] is considered to be a triradylglycerol lipid molecule. TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 1-Hexadecanoyl-2-(11Z,14Z-eicosadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Palmitoyl-2-eicosadienoyl-3-arachidonoyl-glycerol TAG(16:0/20:2/20:4) TAG(16:0/20:2n6/20:4) TAG(16:0/20:2W6/20:4) TAG(56:6) TG(16:0/20:2/20:4) TG(16:0/20:2n6/20:4) TG(16:0/20:2W6/20:4) TG(56:6) Tracylglycerol(16:0/20:2/20:4) Tracylglycerol(16:0/20:2n6/20:4) Tracylglycerol(16:0/20:2W6/20:4) Tracylglycerol(56:6) Triacylglycerol Triglyceride TG(16:0/20:2n6/20:4n6) TG(16:0/20:2W6/20:4W6) Tag(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Tag(16:0/20:2n6/20:4n6) Tag(16:0/20:2W6/20:4W6) Triacylglycerol(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Triacylglycerol(16:0/20:2/20:4) Triacylglycerol(16:0/20:2n6/20:4n6) Triacylglycerol(16:0/20:2W6/20:4W6) Triacylglycerol(56:6) TG(16:0/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) TG(16:0/20:2n6/20:4(5Z,8Z,11Z,14Z)) C59H102O6 907.459 906.767641004 (2S)-3-(hexadecanoyloxy)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-3-(hexadecanoyloxy)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,40,43,56H,4-15,18,21-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1 KOKYYOZUDSMORZ-ZZWYBQJBSA-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 10.77 ALOGPS logs -8.06 ALOGPS logp 20.31 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 907.459 ChemAxon mono_mass 906.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C59H102O6 ChemAxon inchi InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31,34,40,43,56H,4-15,18,21-24,29-30,32-33,35-39,41-42,44-55H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-31-,43-40-/t56-/m0/s1 ChemAxon inchikey KOKYYOZUDSMORZ-ZZWYBQJBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 284.8 ChemAxon polarizability 117.98 ChemAxon rotatable_bond_count 52 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 566287 Specdb::MsMs 566288 Specdb::MsMs 566289 Specdb::MsMs 2551421 Specdb::MsMs 2551422 Specdb::MsMs 2551423 Specdb::MsMs 2620151 Specdb::MsMs 2620152 Specdb::MsMs 2620153 Specdb::MsMs 2720256 Specdb::MsMs 2720257 Specdb::MsMs 2720258 Specdb::MsMs 2778608 Specdb::MsMs 2778609 Specdb::MsMs 2778610 Specdb::MsMs 2903802 Specdb::MsMs 2903803 Specdb::MsMs 2903804 Milk 6.4 +/- 0.1 uM Commercial 1% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 14 +/- 1 uM Commercial 2% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 85 +/- 2 uM Commercial 3.25% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 0.25 +/- 0.01 uM Commercial skim milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 131755380 A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation) BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme