1.0 2016-09-30 23:30:43 UTC 2020-05-21 16:27:39 UTC BMDB0007107 BMDB07107 DG(16:0/20:0/0:0) DG(16:0/20:0/0:0)[iso2], also known as dg(16:0/20:0/0:0)[iso2] or DAG(16:0/20:0), belongs to the class of organic compounds known as 1,2-dg(16:0/20:0/0:0)[iso2]s. These are dg(16:0/20:0/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(16:0/20:0/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(16:0/20:0/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(16:0/20:0/0:0)[iso2] is involved in the metabolic pathway called phosphatidylethanolamine biosynthesis pe(16:0/20:0) pathway. DG(16:0/20:0/0:0) DAG(36:0) Diacylglycerol(36:0) Diglyceride DAG(16:0/20:0) 1-palmitoyl-2-arachidonyl-sn-glycerol Diacylglycerol(16:0/20:0) Diacylglycerol DG(16:0/20:0) 1-hexadecanoyl-2-eicosanoyl-sn-glycerol DG(36:0) C39H76O5 625.0177 624.569275542 (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl icosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 RZKCYEISOFRALJ-QNGWXLTQSA-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 10.36 ALOGPS logs -7.57 ALOGPS logp 13.78 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl icosanoate ChemAxon average_mass 625.0177 ChemAxon mono_mass 624.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C39H76O5 ChemAxon inchi InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 ChemAxon inchikey RZKCYEISOFRALJ-QNGWXLTQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 186.1 ChemAxon polarizability 83.98 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(16:0/20:0/20:0) SMP0074069 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:1(11Z)) SMP0074070 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:2(11Z,14Z)) SMP0074071 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:3(5Z,8Z,11Z)) SMP0074072 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:3(8Z,11Z,14Z)) SMP0074073 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)) SMP0074074 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(8Z,11Z,14Z,17Z)) SMP0074075 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0074076 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:0) SMP0074077 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:1(13Z)) SMP0074078 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:2(13Z,16Z)) SMP0074079 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:4(7Z,10Z,13Z,16Z)) SMP0074080 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0074081 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0074082 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074083 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/24:0) SMP0074084 De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/24:1(15Z)) SMP0074085 Phosphatidylcholine Biosynthesis PC(16:0/20:0) SMP0080523 Phosphatidylethanolamine Biosynthesis PE(16:0/20:0) SMP0082326 Specdb::CMs 39238 Specdb::CMs 560794 Specdb::CMs 792955 Specdb::MsMs 685516 Specdb::MsMs 685517 Specdb::MsMs 685518 Specdb::MsMs 1461794 Specdb::MsMs 1461795 Specdb::MsMs 1461796 Specdb::MsMs 2508949 Specdb::MsMs 2508950 Specdb::MsMs 2508951 Specdb::MsMs 2683332 Specdb::MsMs 2683333 Specdb::MsMs 2683334 Specdb::MsMs 2768462 Specdb::MsMs 2768463 Specdb::MsMs 2768464 Specdb::MsMs 2913470 Specdb::MsMs 2913471 Specdb::MsMs 2913472 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 9543710 FDB024301 7822660 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme