1.0 2016-09-30 23:42:05 UTC 2020-05-21 16:26:49 UTC BMDB0007672 BMDB07672 DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2], also known as dg(22:2(13z,16z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2] or DAG(22:2/22:6), belongs to the class of organic compounds known as 1,2-dg(22:2(13z,16z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s. These are dg(22:2(13z,16z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) pathway. 1-Docosadienoyl-2-docosahexaenoyl-sn-glycerol DAG(22:2/22:6) DAG(22:2N6/22:6N3) DAG(22:2W6/22:6W3) DAG(44:8) DG(22:2/22:6) DG(22:2N6/22:6N3) DG(22:2W6/22:6W3) DG(44:8) Diacylglycerol Diacylglycerol(22:2/22:6) Diacylglycerol(22:2n6/22:6n3) Diacylglycerol(22:2W6/22:6W3) Diacylglycerol(44:8) Diglyceride 1-(13Z,16Z-Docosadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C47H76O5 721.1033 720.569275542 (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-hydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1 LXRBEUSCWZBMKX-IAGGVCRSSA-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 9.42 ALOGPS logs -7.80 ALOGPS logp 14.44 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-hydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 721.1033 ChemAxon mono_mass 720.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C47H76O5 ChemAxon inchi InChI=1S/C47H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,30,32,36,38,45,48H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-44H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t45-/m0/s1 ChemAxon inchikey LXRBEUSCWZBMKX-IAGGVCRSSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 231.84 ChemAxon polarizability 89.8 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(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0077089 De Novo Triacylglycerol Biosynthesis TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) SMP0077090 De Novo Triacylglycerol Biosynthesis TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) SMP0077091 Phosphatidylcholine Biosynthesis PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0080841 Phosphatidylethanolamine Biosynthesis PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0082650 Specdb::CMs 760334 Specdb::CMs 760335 Specdb::MsMs 647995 Specdb::MsMs 647996 Specdb::MsMs 647997 Specdb::MsMs 2330805 Specdb::MsMs 2330806 Specdb::MsMs 2330807 Specdb::MsMs 2480935 Specdb::MsMs 2480936 Specdb::MsMs 2480937 Specdb::MsMs 2491439 Specdb::MsMs 2491440 Specdb::MsMs 2491441 Specdb::MsMs 2630984 Specdb::MsMs 2630985 Specdb::MsMs 2630986 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 7822917 9543967 FDB024865 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme