1.0 2016-09-30 23:30:25 UTC 2020-05-21 16:27:36 UTC BMDB0007092 BMDB07092 DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Diglyceride 1-pentadecanoyl-2-docosahexaenoyl-sn-glycerol Diacylglycerol(15:0/22:6) DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) DG(37:6) Diacylglycerol DAG(37:6) DG(15:0/22:6) DAG(15:0/22:6) 1-pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol Diacylglycerol(37:6) C40H66O5 626.949 626.491025222 (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t38-/m0/s1 HQNQQCVYQNJKCH-WWJJBLDJSA-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 9.11 ALOGPS logs -7.59 ALOGPS logp 12.05 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 626.949 ChemAxon mono_mass 626.491025222 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C40H66O5 ChemAxon inchi InChI=1S/C40H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,38,41H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t38-/m0/s1 ChemAxon inchikey HQNQQCVYQNJKCH-WWJJBLDJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 197.4 ChemAxon polarizability 77.51 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(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073865 De Novo Triacylglycerol Biosynthesis TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0) SMP0073866 De Novo Triacylglycerol Biosynthesis TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) SMP0073867 Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0080511 Phosphatidylethanolamine Biosynthesis PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0082314 Specdb::CMs 39225 Specdb::CMs 571729 Specdb::CMs 793114 Specdb::MsMs 606628 Specdb::MsMs 606629 Specdb::MsMs 606630 Specdb::MsMs 2346080 Specdb::MsMs 2346081 Specdb::MsMs 2346082 Specdb::MsMs 2394304 Specdb::MsMs 2394305 Specdb::MsMs 2394306 Specdb::MsMs 2758842 Specdb::MsMs 2758843 Specdb::MsMs 2758844 Specdb::MsMs 2950761 Specdb::MsMs 2950762 Specdb::MsMs 2950763 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 24765925 53478021 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme