1.0 2016-09-30 23:38:15 UTC 2020-05-11 18:32:43 UTC BMDB0007483 BMDB07483 DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 1-Homo-g-linolenoyl-2-stearidonoyl-sn-glycerol 1-Homo-gamma-linolenoyl-2-stearidonoyl-sn-glycerol DAG(20:3/18:4) DAG(20:3N6/18:4N3) DAG(20:3W6/18:4W3) DAG(38:7) DG(20:3/18:4) DG(20:3N6/18:4N3) DG(20:3W6/18:4W3) DG(38:7) Diacylglycerol Diacylglycerol(20:3/18:4) Diacylglycerol(20:3n6/18:4n3) Diacylglycerol(20:3W6/18:4W3) Diacylglycerol(38:7) Diglyceride 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) C41H66O5 638.9597 638.491025222 (2S)-3-hydroxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,39,42H,3-5,7,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1 UIDGDHJVUXZFLA-QKZIVHPESA-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 Solid logp 8.61 ALOGPS logs -7.54 ALOGPS logp 12.14 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 638.9597 ChemAxon mono_mass 638.491025222 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C41H66O5 ChemAxon inchi InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,39,42H,3-5,7,9-10,15-16,20,24-25,27,29-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-/t39-/m0/s1 ChemAxon inchikey UIDGDHJVUXZFLA-QKZIVHPESA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 203.12 ChemAxon polarizability 78.16 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 Specdb::MsMs 644317 Specdb::MsMs 644318 Specdb::MsMs 644319 Specdb::MsMs 2311331 Specdb::MsMs 2311332 Specdb::MsMs 2311333 Specdb::MsMs 2651696 Specdb::MsMs 2651697 Specdb::MsMs 2651698 Specdb::MsMs 2836452 Specdb::MsMs 2836453 Specdb::MsMs 2836454 Specdb::MsMs 3104783 Specdb::MsMs 3104784 Specdb::MsMs 3104785 Specdb::CMs 601789 Specdb::CMs 601790 Specdb::CMs 793346 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 24766186 53478278 FDB024676