1.0 2020-03-25 15:59:53 UTC 2020-04-22 18:59:21 UTC BMDB0096631 DG(20:2n6/0:0/18:4n3) (2R)-2-Hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoic acid 1-Eicosadienoyl-3-stearidonoyl-sn-glycerol Diglyceride DG(20:2/0:0/18:4) DG(38:6) Diacylglycerol(20:2W6/0:0/18:4W3) DAG(38:6) DAG(20:2/0:0/18:4) DG(20:2W6/0:0/18:4W3) Diacylglycerol DAG(20:2N6/0:0/18:4N3) DAG(20:2W6/0:0/18:4W3) Diacylglycerol(20:2/0:0/18:4) Diacylglycerol(20:2n6/0:0/18:4n3) 1-(11Z,14Z-Eicosadienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol Diacylglycerol(38:6) DG(20:2n6/0:0/18:4n3) C41H68O5 640.99 640.50667529 (2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate (2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C41H68O5/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/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1 SITPDZFUQHCMGN-QOMNQLAJSA-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 9.25 ALOGPS logs -7.62 ALOGPS logp 12.5 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 640.99 ChemAxon mono_mass 640.50667529 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C41H68O5 ChemAxon inchi InChI=1S/C41H68O5/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/h6,8,11-14,17-19,21,25,27,39,42H,3-5,7,9-10,15-16,20,22-24,26,28-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,27-25-/t39-/m0/s1 ChemAxon inchikey SITPDZFUQHCMGN-QOMNQLAJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 202 ChemAxon polarizability 80.54 ChemAxon rotatable_bond_count 34 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 202199 Specdb::CMs 614469 Specdb::CMs 614470 Specdb::CMs 793554 Specdb::MsMs 1288744 Specdb::MsMs 1288745 Specdb::MsMs 1288746 Specdb::MsMs 1403503 Specdb::MsMs 1403504 Specdb::MsMs 1403505 Specdb::MsMs 2743753 Specdb::MsMs 2743754 Specdb::MsMs 2743755 Specdb::MsMs 2934465 Specdb::MsMs 2934466 Specdb::MsMs 2934467 74854661 131802015 FDB098776