1.0 2020-03-25 15:40:55 UTC 2020-04-22 18:57:53 UTC BMDB0096399 DG(20:0/0:0/20:5n3) (2R)-2-Hydroxy-3-(icosanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid Diacylglycerol(20:0/0:0/20:5W3) Diacylglycerol(20:0/0:0/20:5) 1-Arachidonyl-3-eicosapentaenoyl-sn-glycerol DAG(20:0/0:0/20:5) Diglyceride Diacylglycerol(20:0/0:0/20:5n3) DG(20:0/0:0/20:5) DAG(40:5) DG(40:5) Diacylglycerol DAG(20:0/0:0/20:5N3) DG(20:0/0:0/20:5W3) Diacylglycerol(40:5) 1-Eicosanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DAG(20:0/0:0/20:5W3) DG(20:0/0:0/20:5n3) C43H74O5 671.06 670.553625483 (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C43H74O5/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/h5,7,11,13,17,19,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t41-/m0/s1 UFBCJKWLEUICAE-XHJGARTISA-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 10.24 ALOGPS logs -7.77 ALOGPS logp 13.75 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 671.06 ChemAxon mono_mass 670.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C43H74O5 ChemAxon inchi InChI=1S/C43H74O5/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/h5,7,11,13,17,19,23,25,29,31,41,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t41-/m0/s1 ChemAxon inchikey UFBCJKWLEUICAE-XHJGARTISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 210.09 ChemAxon polarizability 86.39 ChemAxon rotatable_bond_count 37 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 702700 Specdb::CMs 702701 Specdb::MsMs 1232359 Specdb::MsMs 1232360 Specdb::MsMs 1232361 Specdb::MsMs 1347886 Specdb::MsMs 1347887 Specdb::MsMs 1347888 Specdb::MsMs 2442163 Specdb::MsMs 2442164 Specdb::MsMs 2442165 Specdb::MsMs 2520185 Specdb::MsMs 2520186 Specdb::MsMs 2520187 74854446 131801798 FDB098544