1.0 2016-09-30 23:35:24 UTC 2020-05-21 16:27:57 UTC BMDB0007341 BMDB07341 DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0) DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)[iso2], also known as dg(18:4(6z,9z,12z,15z)/20:2(11z,14z)/0:0)[iso2] or DG(18:4/20:2), belongs to the class of organic compounds known as 1,2-dg(18:4(6z,9z,12z,15z)/20:2(11z,14z)/0:0)[iso2]s. These are dg(18:4(6z,9z,12z,15z)/20:2(11z,14z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)[iso2] is involved in a few metabolic pathways, which include de novo triacylglycerol biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:0) pathway, de novo triacylglycerol biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) pathway, and de novo triacylglycerol biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/24:0) pathway. Diacylglycerol(38:6) DG(38:6) Diacylglycerol(18:4/20:2) 1-Stearidonoyl-2-eicosadienoyl-sn-glycerol DAG(38:6) Diglyceride DG(18:4/20:2) Diacylglycerol 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol DAG(18:4/20:2) DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0) C41H68O5 640.9756 640.506675286 (2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1 QXTGXTDCIADQLB-QOMNQLAJSA-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 9.23 ALOGPS logs -7.64 ALOGPS logp 12.5 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 640.9756 ChemAxon mono_mass 640.506675286 ChemAxon smiles [H][C@](CO)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C41H68O5 ChemAxon inchi InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1 ChemAxon inchikey QXTGXTDCIADQLB-QOMNQLAJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 202 ChemAxon polarizability 79.94 ChemAxon rotatable_bond_count 34 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(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:2(11Z,14Z)) SMP0076062 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) SMP0076063 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) SMP0076064 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0076065 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) SMP0076066 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0076067 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:0) SMP0076068 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:1(13Z)) SMP0076069 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:2(13Z,16Z)) SMP0076070 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) SMP0076071 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0076072 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0076073 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0076074 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/24:0) SMP0076075 De Novo Triacylglycerol Biosynthesis TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/24:1(15Z)) SMP0076076 Phosphatidylcholine Biosynthesis PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) SMP0080697 Phosphatidylethanolamine Biosynthesis PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) SMP0082503 Specdb::CMs 21376 Specdb::CMs 614427 Specdb::CMs 614428 Specdb::CMs 793533 Specdb::MsMs 313549 Specdb::MsMs 313550 Specdb::MsMs 313551 Specdb::MsMs 359059 Specdb::MsMs 359060 Specdb::MsMs 359061 Specdb::MsMs 2314559 Specdb::MsMs 2314560 Specdb::MsMs 2314561 Specdb::MsMs 2349065 Specdb::MsMs 2349066 Specdb::MsMs 2349067 Specdb::MsMs 2586601 Specdb::MsMs 2586602 Specdb::MsMs 2586603 Specdb::MsMs 2937562 Specdb::MsMs 2937563 Specdb::MsMs 2937564 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 53478170 88966 FDB024534 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme