1.0 2020-03-25 15:39:48 UTC 2020-04-22 18:57:47 UTC BMDB0096385 DG(20:0/0:0/20:3n9) (2R)-2-Hydroxy-3-(icosanoyloxy)propyl (8Z,11Z)-icosa-5,8,11-trienoic acid DG(20:0/0:0/20:3W9) DAG(20:0/0:0/20:3N9) Diacylglycerol(20:0/0:0/20:3n9) 1-Arachidonyl-3-meadoyl-sn-glycerol Diacylglycerol(40:3) Diglyceride DAG(20:0/0:0/20:3W9) DG(20:0/0:0/20:3) Diacylglycerol DAG(20:0/0:0/20:3) Diacylglycerol(20:0/0:0/20:3W9) DG(40:3) Diacylglycerol(20:0/0:0/20:3) 1-Eicosanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol DAG(40:3) DG(20:0/0:0/20:3n9) C43H78O5 675.092 674.584925612 (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C43H78O5/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/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-/t41-/m0/s1 BOJKJGRETHMCPR-LRJFHYEFSA-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 10.62 ALOGPS logs -7.80 ALOGPS logp 14.47 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(icosanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 675.092 ChemAxon mono_mass 674.584925612 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C43H78O5 ChemAxon inchi InChI=1S/C43H78O5/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/h17,19,23,25,29,31,41,44H,3-16,18,20-22,24,26-28,30,32-40H2,1-2H3/b19-17-,25-23-,31-29-/t41-/m0/s1 ChemAxon inchikey BOJKJGRETHMCPR-LRJFHYEFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 207.86 ChemAxon polarizability 89.06 ChemAxon rotatable_bond_count 39 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 206570 Specdb::CMs 714937 Specdb::CMs 714938 Specdb::MsMs 1264879 Specdb::MsMs 1264880 Specdb::MsMs 1264881 Specdb::MsMs 1379953 Specdb::MsMs 1379954 Specdb::MsMs 1379955 Specdb::MsMs 3057527 Specdb::MsMs 3057528 Specdb::MsMs 3057529 Specdb::MsMs 3113657 Specdb::MsMs 3113658 Specdb::MsMs 3113659 74854432 131801784 FDB098530