1.0 2020-03-25 15:54:13 UTC 2020-04-22 18:58:54 UTC BMDB0096561 DG(20:3n9/0:0/18:4n3) (2S)-2-Hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid Diacylglycerol(38:7) DAG(20:3/0:0/18:4) DAG(20:3W9/0:0/18:4W3) DAG(20:3N9/0:0/18:4N3) DG(38:7) Diacylglycerol(20:3n9/0:0/18:4n3) DAG(38:7) Diacylglycerol(20:3W9/0:0/18:4W3) DG(20:3W9/0:0/18:4W3) DG(20:3/0:0/18:4) Diacylglycerol(20:3/0:0/18:4) Diacylglycerol 1-Meadoyl-3-stearidonoyl-sn-glycerol 1-(5Z,8Z,11Z-Eicosatrienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol Diglyceride DG(20:3n9/0:0/18:4n3) C41H66O5 638.974 638.491025225 (2S)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2S)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1 IQGQVTFMNSRJRB-NLJQANAJSA-N belongs to the class of organic compounds known as other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Other hydroxyeicosapolyenoic acids 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diacylglycerol Dicarboxylic acid or derivatives Diradylglycerol Fatty acid ester Glycerolipid Hydrocarbon derivative Hydroxyeicosapolyenoic acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds logp 8.71 ALOGPS logs -7.55 ALOGPS logp 12.14 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 638.974 ChemAxon mono_mass 638.491025225 ChemAxon smiles [H][C@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C41H66O5 ChemAxon inchi InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21-22,24-25,27-28,30,39,42H,3-5,7,9-11,13,15-16,20,23,26,29,31-38H2,1-2H3/b8-6-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m0/s1 ChemAxon inchikey IQGQVTFMNSRJRB-NLJQANAJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 203.12 ChemAxon polarizability 79.66 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::CMs 601805 Specdb::CMs 601806 Specdb::CMs 793354 Specdb::MsMs 1295599 Specdb::MsMs 1295600 Specdb::MsMs 1295601 Specdb::MsMs 1410256 Specdb::MsMs 1410257 Specdb::MsMs 1410258 Specdb::MsMs 2837400 Specdb::MsMs 2837401 Specdb::MsMs 2837402 Specdb::MsMs 2868204 Specdb::MsMs 2868205 Specdb::MsMs 2868206 74854596 131801949 FDB098706