1.0 2020-03-25 16:04:25 UTC 2020-04-22 18:59:42 UTC BMDB0096687 DG(18:4n3/0:0/18:4n3) DAG(18:4/0:0/18:4) DAG(18:4W3/0:0/18:4W3) Diacylglycerol(18:4W3/0:0/18:4W3) DAG(18:4N3/0:0/18:4N3) Diacylglycerol(18:4/0:0/18:4) DAG(36:8) Diglyceride DG(18:4W3/0:0/18:4W3) 1-Stearidonoyl-3-stearidonoyl-sn-glycerol Diacylglycerol DG(36:8) DG(18:4/0:0/18:4) Diacylglycerol(18:4n3/0:0/18:4n3) 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol Diacylglycerol(36:8) DG(18:4n3/0:0/18:4n3) 2-Hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid C39H60O5 608.8907 608.44407503 2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate 2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H]C(O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C39H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37,40H,3-4,9-10,15-16,21-22,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24- YKVIEUHHXZMBMH-CKKCRWTASA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds logp 8.02 ALOGPS logs -7.21 ALOGPS logp 10.89 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 608.8907 ChemAxon mono_mass 608.44407503 ChemAxon smiles [H]C(O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C39H60O5 ChemAxon inchi InChI=1S/C39H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,37,40H,3-4,9-10,15-16,21-22,27-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24- ChemAxon inchikey YKVIEUHHXZMBMH-CKKCRWTASA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 195.04 ChemAxon polarizability 72.74 ChemAxon rotatable_bond_count 30 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 1220725 Specdb::MsMs 1220726 Specdb::MsMs 1220727 Specdb::MsMs 1336402 Specdb::MsMs 1336403 Specdb::MsMs 1336404 Specdb::MsMs 2264718 Specdb::MsMs 2264719 Specdb::MsMs 2264720 Specdb::MsMs 3073902 Specdb::MsMs 3073903 Specdb::MsMs 3073904 Specdb::CMs 47801 Specdb::CMs 495407 Specdb::CMs 792309 131766836