1.0 2016-09-30 23:29:10 UTC 2020-05-21 16:27:24 UTC BMDB0007034 BMDB07034 DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2], also known as dg(14:0/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2] or DG(14:0/22:6), belongs to the class of organic compounds known as 1,2-dg(14:0/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s. These are dg(14:0/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) pathway. Diacylglycerol(14:0/22:6) DG(14:0/22:6) DAG(14:0/22:6) 1-myristoyl-2-docosahexaenoyl-sn-glycerol Diglyceride DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Diacylglycerol(36:6) Diacylglycerol DG(36:6) 1-tetradecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol DAG(36:6) C39H64O5 612.9225 612.475375158 (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1 FRUADKDVYOLUEU-RWYVPCEMSA-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 8.81 ALOGPS logs -7.55 ALOGPS logp 11.61 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 612.9225 ChemAxon mono_mass 612.475375158 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C39H64O5 ChemAxon inchi InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22,24,28,30,37,40H,3-4,6,8-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-/m0/s1 ChemAxon inchikey FRUADKDVYOLUEU-RWYVPCEMSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 192.8 ChemAxon polarizability 75.59 ChemAxon rotatable_bond_count 32 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(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073081 De Novo Triacylglycerol Biosynthesis TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) SMP0073082 De Novo Triacylglycerol Biosynthesis TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) SMP0073083 Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0080456 Phosphatidylethanolamine Biosynthesis PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0082259 Specdb::CMs 39177 Specdb::CMs 529436 Specdb::CMs 792560 Specdb::MsMs 624412 Specdb::MsMs 624413 Specdb::MsMs 624414 Specdb::MsMs 2323447 Specdb::MsMs 2323448 Specdb::MsMs 2323449 Specdb::MsMs 2335894 Specdb::MsMs 2335895 Specdb::MsMs 2335896 Specdb::MsMs 2512716 Specdb::MsMs 2512717 Specdb::MsMs 2512718 Specdb::MsMs 2615100 Specdb::MsMs 2615101 Specdb::MsMs 2615102 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 24765868 53477969 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme