1.0 2016-09-30 23:34:29 UTC 2020-05-21 16:26:35 UTC BMDB0007295 BMDB07295 DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2], also known as dg(18:3(6z,9z,12z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2] or Dg(18:3(6z,9z,12z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(18:3(6z,9z,12z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s. These are dg(18:3(6z,9z,12z)/22:6(4z,7z,10z,13z,16z,19z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:3(6Z,9Z,12Z)/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(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2] is involved in the metabolic pathway called de novo triacylglycerol biosynthesis TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) pathway. 1-g-Linolenoyl-2-docosahexaenoyl-sn-glycerol 1-gamma-Linolenoyl-2-docosahexaenoyl-sn-glycerol DAG(18:3/22:6) DAG(18:3N6/22:6N3) DAG(18:3W6/22:6W3) DAG(40:9) DG(18:3/22:6) DG(18:3N6/22:6N3) DG(18:3W6/22:6W3) DG(40:9) Diacylglycerol Diacylglycerol(18:3/22:6) Diacylglycerol(18:3n6/22:6n3) Diacylglycerol(18:3W6/22:6W3) Diacylglycerol(40:9) Diglyceride 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) C43H66O5 662.9811 662.491025222 (2S)-1-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate diacylglycerol [H][C@](CO)(COC(=O)CCCC\C=C/C\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/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1 XSVAKXYZKYCILC-WARPBGNWSA-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 8.41 ALOGPS logs -7.43 ALOGPS logp 12.3 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 662.9811 ChemAxon mono_mass 662.491025222 ChemAxon smiles [H][C@](CO)(COC(=O)CCCC\C=C/C\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 C43H66O5 ChemAxon inchi InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26-29,32,34,41,44H,3-4,6,8-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m0/s1 ChemAxon inchikey XSVAKXYZKYCILC-WARPBGNWSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 214.56 ChemAxon polarizability 80.09 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(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0075815 De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) SMP0075816 De Novo Triacylglycerol Biosynthesis TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) SMP0075817 Phosphatidylcholine Biosynthesis PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0080672 Phosphatidylethanolamine Biosynthesis PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0082478 Specdb::CMs 675451 Specdb::CMs 675452 Specdb::MsMs 592597 Specdb::MsMs 592598 Specdb::MsMs 592599 Specdb::MsMs 2298933 Specdb::MsMs 2298934 Specdb::MsMs 2298935 Specdb::MsMs 2474666 Specdb::MsMs 2474667 Specdb::MsMs 2474668 Specdb::MsMs 2490554 Specdb::MsMs 2490555 Specdb::MsMs 2490556 Specdb::MsMs 2625809 Specdb::MsMs 2625810 Specdb::MsMs 2625811 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 24766045 53478137 FDB024488 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme