1.0 2016-09-30 23:36:44 UTC 2020-05-21 16:28:00 UTC BMDB0007407 BMDB07407 DG(20:1(11Z)/22:2(13Z,16Z)/0:0) DG(20:1(11Z)/22:2(13Z,16Z)/0:0)[iso2], also known as DAG(20:1/22:2) or dg(20:1(11z)/22:2(13z,16z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(20:1(11z)/22:2(13z,16z)/0:0)[iso2]s. These are dg(20:1(11z)/22:2(13z,16z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(20:1(11Z)/22:2(13Z,16Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(20:1(11Z)/22:2(13Z,16Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(20:1(11Z)/22:2(13Z,16Z)/0:0)[iso2] is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/24:0) pathway. DAG(20:1/22:2) Diacylglycerol(20:1/22:2) Diglyceride DAG(42:3) DG(42:3) Diacylglycerol 1-Eicosenoyl-2-docosadienoyl-sn-glycerol Diacylglycerol(42:3) 1-(11-Eicosenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycerol DG(20:1/22:2) DG(20:1(11Z)/22:2(13Z,16Z)/0:0) C45H82O5 703.1296 702.616225734 (2S)-1-hydroxy-3-[(11Z)-icos-11-enoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1 HTJQHHPEPGYSBB-OZXITPPFSA-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 10.67 ALOGPS logs -7.87 ALOGPS logp 15.36 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(11Z)-icos-11-enoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 703.1296 ChemAxon mono_mass 702.616225734 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C45H82O5 ChemAxon inchi InChI=1S/C45H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,43,46H,3-10,12,14-16,21-42H2,1-2H3/b13-11-,19-17-,20-18-/t43-/m0/s1 ChemAxon inchikey HTJQHHPEPGYSBB-OZXITPPFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 217.06 ChemAxon polarizability 92.43 ChemAxon rotatable_bond_count 41 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(20:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z)) SMP0076443 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) SMP0076444 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0076445 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0076446 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0076447 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/24:0) SMP0076448 De Novo Triacylglycerol Biosynthesis TG(20:1(11Z)/22:2(13Z,16Z)/24:1(15Z)) SMP0076449 Phosphatidylcholine Biosynthesis PC(20:1(11Z)/22:2(13Z,16Z)) SMP0080738 Phosphatidylethanolamine Biosynthesis PE(20:1(11Z)/22:2(13Z,16Z)) SMP0082546 Specdb::CMs 749630 Specdb::CMs 749631 Specdb::MsMs 572002 Specdb::MsMs 572003 Specdb::MsMs 572004 Specdb::MsMs 2444341 Specdb::MsMs 2444342 Specdb::MsMs 2444343 Specdb::MsMs 2520791 Specdb::MsMs 2520792 Specdb::MsMs 2520793 Specdb::MsMs 2783050 Specdb::MsMs 2783051 Specdb::MsMs 2783052 Specdb::MsMs 2994137 Specdb::MsMs 2994138 Specdb::MsMs 2994139 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 9543904 FDB024600 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme