1.0 2020-03-25 15:32:08 UTC 2020-04-22 18:57:12 UTC BMDB0096293 DG(14:0/0:0/20:5n3) (2R)-2-Hydroxy-3-(tetradecanoyloxy)propyl (8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid DAG(14:0/0:0/20:5) Diacylglycerol(34:5) DG(14:0/0:0/20:5W3) Diacylglycerol(14:0/0:0/20:5W3) DAG(14:0/0:0/20:5W3) DG(34:5) DAG(34:5) Diglyceride Diacylglycerol(14:0/0:0/20:5n3) 1-Myristoyl-3-eicosapentaenoyl-sn-glycerol DAG(14:0/0:0/20:5N3) Diacylglycerol Diacylglycerol(14:0/0:0/20:5) 1-Tetradecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol DG(14:0/0:0/20:5) DG(14:0/0:0/20:5n3) C37H62O5 586.898 586.459725096 (2R)-2-hydroxy-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2R)-2-hydroxy-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,35,38H,3-4,6,8-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,26-24-/t35-/m1/s1 MOLFKNFPDDEALJ-JNSNDCRBSA-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 8.83 ALOGPS logs -7.40 ALOGPS logp 11.08 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 586.898 ChemAxon mono_mass 586.459725096 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C37H62O5 ChemAxon inchi InChI=1S/C37H62O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,24,26,35,38H,3-4,6,8-10,12,14-15,18,21-23,25,27-34H2,1-2H3/b7-5-,13-11-,17-16-,20-19-,26-24-/t35-/m1/s1 ChemAxon inchikey MOLFKNFPDDEALJ-JNSNDCRBSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 182.48 ChemAxon polarizability 73.36 ChemAxon rotatable_bond_count 31 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 47700 Specdb::CMs 206272 Specdb::CMs 282794 Specdb::CMs 411208 Specdb::MsMs 1228576 Specdb::MsMs 1228577 Specdb::MsMs 1228578 Specdb::MsMs 1344139 Specdb::MsMs 1344140 Specdb::MsMs 1344141 Specdb::MsMs 2375336 Specdb::MsMs 2375337 Specdb::MsMs 2375338 Specdb::MsMs 2559600 Specdb::MsMs 2559601 Specdb::MsMs 2559602 74854356 131801710 FDB098439