1.0 2020-03-25 16:01:44 UTC 2020-04-22 18:59:29 UTC BMDB0096654 DG(20:4n6/0:0/20:5n3) (2R)-2-Hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (5Z)-icosa-5,8,11,14,17-pentaenoic acid DAG(40:9) 1-Arachidonoyl-3-eicosapentaenoyl-sn-glycerol DG(20:4W6/0:0/20:5W3) Diacylglycerol(20:4/0:0/20:5) DAG(20:4N6/0:0/20:5N3) DG(20:4/0:0/20:5) Diacylglycerol(40:9) Diglyceride Diacylglycerol(20:4n6/0:0/20:5n3) Diacylglycerol DAG(20:4/0:0/20:5) DG(40:9) Diacylglycerol(20:4W6/0:0/20:5W3) 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DAG(20:4W6/0:0/20:5W3) DG(20:4n6/0:0/20:5n3) C43H66O5 662.996 662.491025225 (2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,41,44H,3-4,6,8-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1 CEXISKLLSGOXOW-LAQGFTRLSA-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 8.40 ALOGPS logs -7.42 ALOGPS logp 12.3 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 662.996 ChemAxon mono_mass 662.491025225 ChemAxon smiles [H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C43H66O5 ChemAxon inchi InChI=1S/C43H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,41,44H,3-4,6,8-10,15-16,21-22,27-28,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t41-/m0/s1 ChemAxon inchikey CEXISKLLSGOXOW-LAQGFTRLSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 214.56 ChemAxon polarizability 80.99 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 675477 Specdb::CMs 675478 Specdb::MsMs 1298242 Specdb::MsMs 1298243 Specdb::MsMs 1298244 Specdb::MsMs 1412860 Specdb::MsMs 1412861 Specdb::MsMs 1412862 Specdb::MsMs 2454460 Specdb::MsMs 2454461 Specdb::MsMs 2454462 Specdb::MsMs 2484081 Specdb::MsMs 2484082 Specdb::MsMs 2484083 74854682 131802036 FDB098799