1.0 2020-03-25 16:01:30 UTC 2020-04-22 18:59:28 UTC BMDB0096651 DG(20:4n6/0:0/18:3n3) (2S)-2-Hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid DAG(20:4/0:0/18:3) Diacylglycerol(20:4/0:0/18:3) DG(20:4W6/0:0/18:3W3) DG(38:7) DAG(38:7) DG(20:4/0:0/18:3) Diacylglycerol(20:4W6/0:0/18:3W3) Diglyceride DAG(20:4W6/0:0/18:3W3) Diacylglycerol(20:4n6/0:0/18:3n3) DAG(20:4N6/0:0/18:3N3) Diacylglycerol 1-Arachidonoyl-3-a-linolenoyl-sn-glycerol 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycerol Diacylglycerol(38:7) DG(20:4n6/0:0/18:3n3) C41H66O5 638.974 638.491025225 (2S)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,39,42H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1 APFCEEOZYOJMIB-RRJBTLHSSA-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 8.67 ALOGPS logs -7.53 ALOGPS logp 12.14 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 638.974 ChemAxon mono_mass 638.491025225 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C41H66O5 ChemAxon inchi InChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24,28,30,39,42H,3-5,7,9-10,15-16,20,23,25-27,29,31-38H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1 ChemAxon inchikey APFCEEOZYOJMIB-RRJBTLHSSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 203.12 ChemAxon polarizability 79.62 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::MsMs 1223398 Specdb::MsMs 1223399 Specdb::MsMs 1223400 Specdb::MsMs 1339036 Specdb::MsMs 1339037 Specdb::MsMs 1339038 Specdb::MsMs 2355864 Specdb::MsMs 2355865 Specdb::MsMs 2355866 Specdb::MsMs 2607213 Specdb::MsMs 2607214 Specdb::MsMs 2607215 Specdb::CMs 601813 Specdb::CMs 601814 Specdb::CMs 793358 74854679 131802033 FDB098796