1.0 2020-03-25 15:50:40 UTC 2020-04-22 18:58:38 UTC BMDB0096518 DG(18:1n9/0:0/18:3n6) DG(18:1/0:0/18:3) DG(18:1W9/0:0/18:3W6) DG(36:4) Diglyceride 1-Oleoyl-3-g-linolenoyl-sn-glycerol Diacylglycerol Diacylglycerol(36:4) Diacylglycerol(18:1n9/0:0/18:3n6) DAG(18:1/0:0/18:3) Diacylglycerol(18:1/0:0/18:3) DAG(36:4) Diacylglycerol(18:1W9/0:0/18:3W6) DAG(18:1W9/0:0/18:3W6) 1-(9Z-Octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol DAG(18:1N9/0:0/18:3N6) DG(18:1n9/0:0/18:3n6) C39H68O5 616.9542 616.506675286 2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C39H68O5/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/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23- OLMRINFYMOVSNZ-CIPMSCSPSA-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 9.84 ALOGPS logs -7.55 ALOGPS logp 12.33 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate ChemAxon average_mass 616.9542 ChemAxon mono_mass 616.506675286 ChemAxon smiles CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C39H68O5 ChemAxon inchi InChI=1S/C39H68O5/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/h11,13,17-20,23,25,37,40H,3-10,12,14-16,21-22,24,26-36H2,1-2H3/b13-11-,19-17-,20-18-,25-23- ChemAxon inchikey OLMRINFYMOVSNZ-CIPMSCSPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 190.57 ChemAxon polarizability 78.59 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::CMs 47792 Specdb::CMs 540911 Specdb::CMs 792728 Specdb::MsMs 1238263 Specdb::MsMs 1238264 Specdb::MsMs 1238265 Specdb::MsMs 1353712 Specdb::MsMs 1353713 Specdb::MsMs 1353714 Specdb::MsMs 2274516 Specdb::MsMs 2274517 Specdb::MsMs 2274518 Specdb::MsMs 3090554 Specdb::MsMs 3090555 Specdb::MsMs 3090556 131766671