1.0 2020-03-25 15:33:17 UTC 2020-04-22 18:57:18 UTC BMDB0096307 DG(15:0/0:0/20:3n9) (2R)-2-Hydroxy-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid DAG(35:3) DG(15:0/0:0/20:3W9) DAG(15:0/0:0/20:3N9) Diacylglycerol(35:3) DG(35:3) Diglyceride Diacylglycerol(15:0/0:0/20:3W9) DAG(15:0/0:0/20:3W9) 1-Pentadecanoyl-3-meadoyl-sn-glycerol Diacylglycerol(15:0/0:0/20:3) Diacylglycerol DAG(15:0/0:0/20:3) DG(15:0/0:0/20:3) 1-Pentadecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol Diacylglycerol(15:0/0:0/20:3n9) DG(15:0/0:0/20:3n9) C38H68O5 604.957 604.50667529 (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-/t36-/m1/s1 UZWSOQJDCMMJRF-NLMUWFDISA-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 10.02 ALOGPS logs -7.71 ALOGPS logp 12.25 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(pentadecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 604.957 ChemAxon mono_mass 604.50667529 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC ChemAxon formula C38H68O5 ChemAxon inchi InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-/t36-/m1/s1 ChemAxon inchikey UZWSOQJDCMMJRF-NLMUWFDISA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 184.85 ChemAxon polarizability 78.53 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::MsMs 1296745 Specdb::MsMs 1296746 Specdb::MsMs 1296747 Specdb::MsMs 1411387 Specdb::MsMs 1411388 Specdb::MsMs 1411389 Specdb::MsMs 2778712 Specdb::MsMs 2778713 Specdb::MsMs 2778714 Specdb::MsMs 2903721 Specdb::MsMs 2903722 Specdb::MsMs 2903723 Specdb::CMs 47712 Specdb::CMs 475897 Specdb::CMs 792221 74854365 131801719 FDB098453