1.0 2016-09-30 23:33:49 UTC 2020-05-21 16:27:54 UTC BMDB0007262 BMDB07262 DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0) DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2], also known as dg(18:2(9z,12z)/22:2(13z,16z)/0:0)[iso2] or DG(18:2/22:2), belongs to the class of organic compounds known as 1,2-dg(18:2(9z,12z)/22:2(13z,16z)/0:0)[iso2]s. These are dg(18:2(9z,12z)/22:2(13z,16z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)[iso2] is involved in a couple of metabolic pathways, which include de novo triacylglycerol biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) pathway and de novo triacylglycerol biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) pathway. Diglyceride Diacylglycerol(40:4) DAG(40:4) Diacylglycerol Diacylglycerol(18:2/22:2) DG(40:4) 1-Linoleoyl-2-docosadienoyl-sn-glycerol DG(18:2/22:2) 1-(9Z,12Z-Octadecadienoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycerol DAG(18:2/22:2) DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0) C43H76O5 673.0605 672.569275542 (2S)-1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1 XQABSIGFGYYERB-AFRYFLNXSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Diacylglycerols Solid logp 10.33 ALOGPS logs -7.76 ALOGPS logp 14.11 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 673.0605 ChemAxon mono_mass 672.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C43H76O5 ChemAxon inchi InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,41,44H,3-10,15-16,20-22,24-40H2,1-2H3/b13-11-,14-12-,19-17-,23-18-/t41-/m0/s1 ChemAxon inchikey XQABSIGFGYYERB-AFRYFLNXSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 208.97 ChemAxon polarizability 85.62 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 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(18:2(9Z,12Z)/22:2(13Z,16Z)/22:2(13Z,16Z)) SMP0075583 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) SMP0075584 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0075585 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0075586 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0075587 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/24:0) SMP0075588 De Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/22:2(13Z,16Z)/24:1(15Z)) SMP0075589 Phosphatidylcholine Biosynthesis PC(18:2(9Z,12Z)/22:2(13Z,16Z)) SMP0080648 Phosphatidylethanolamine Biosynthesis PE(18:2(9Z,12Z)/22:2(13Z,16Z)) SMP0082453 Specdb::CMs 704323 Specdb::CMs 704324 Specdb::MsMs 679990 Specdb::MsMs 679991 Specdb::MsMs 679992 Specdb::MsMs 2354173 Specdb::MsMs 2354174 Specdb::MsMs 2354175 Specdb::MsMs 2585276 Specdb::MsMs 2585277 Specdb::MsMs 2585278 Specdb::MsMs 2597128 Specdb::MsMs 2597129 Specdb::MsMs 2597130 Specdb::MsMs 3008419 Specdb::MsMs 3008420 Specdb::MsMs 3008421 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 9543868 89178 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme