1.0 2016-09-30 23:31:35 UTC 2020-05-21 16:26:26 UTC BMDB0007150 BMDB07150 DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2], also known as dg(16:1(9z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2] or DAG(16:1/22:6), belongs to the class of organic compounds known as 1,2-dg(16:1(9z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s. These are dg(16:1(9z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(16:1(9Z)/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(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) pathway. 1-palmitoleoyl-2-docosahexaenoyl-sn-glycerol Diacylglycerol(16:1/22:6) DG(38:7) DAG(38:7) Diglyceride DAG(16:1/22:6) Diacylglycerol DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(16:1/22:6) 1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol Diacylglycerol(38:7) C41H66O5 638.9597 638.491025222 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1 HVNZXEWOOPDEBR-DWOBMRGOSA-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 8.70 ALOGPS logs -7.56 ALOGPS logp 12.14 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 638.9597 ChemAxon mono_mass 638.491025222 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C41H66O5 ChemAxon inchi InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1 ChemAxon inchikey HVNZXEWOOPDEBR-DWOBMRGOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 203.12 ChemAxon polarizability 79.46 ChemAxon rotatable_bond_count 33 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(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074541 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) SMP0074542 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) SMP0074543 Phosphatidylcholine Biosynthesis PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0080562 Phosphatidylethanolamine Biosynthesis PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0082365 Specdb::CMs 601771 Specdb::CMs 601772 Specdb::CMs 793337 Specdb::MsMs 641644 Specdb::MsMs 641645 Specdb::MsMs 641646 Specdb::MsMs 2575399 Specdb::MsMs 2575400 Specdb::MsMs 2575401 Specdb::MsMs 2611169 Specdb::MsMs 2611170 Specdb::MsMs 2611171 Specdb::MsMs 2718354 Specdb::MsMs 2718355 Specdb::MsMs 2718356 Specdb::MsMs 2964429 Specdb::MsMs 2964430 Specdb::MsMs 2964431 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 9543839 7822789 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme