1.0 2020-03-25 15:58:17 UTC 2020-04-22 18:59:13 UTC BMDB0096611 DG(18:3n6/0:0/18:3n6) DG(18:3/0:0/18:3) DAG(18:3/0:0/18:3) Diacylglycerol(18:3n6/0:0/18:3n6) Diacylglycerol(18:3W6/0:0/18:3W6) 1-g-Linolenoyl-3-g-linolenoyl-sn-glycerol DG(18:3W6/0:0/18:3W6) Diglyceride Diacylglycerol(36:6) Diacylglycerol(18:3/0:0/18:3) Diacylglycerol DAG(18:3W6/0:0/18:3W6) DAG(18:3N6/0:0/18:3N6) DG(36:6) 1-(6Z,9Z,12Z-Octadecatrienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol DAG(36:6) DG(18:3n6/0:0/18:3n6) 2-Hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid C39H64O5 612.9225 612.475375158 2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate [H]C(O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C39H64O5/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/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24- LZSJCSQKHQTZID-HUYIQXHZSA-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 8.69 ALOGPS logs -7.51 ALOGPS logp 11.61 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate ChemAxon average_mass 612.9225 ChemAxon mono_mass 612.475375158 ChemAxon smiles [H]C(O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C39H64O5 ChemAxon inchi InChI=1S/C39H64O5/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/h11-14,17-20,23-26,37,40H,3-10,15-16,21-22,27-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24- ChemAxon inchikey LZSJCSQKHQTZID-HUYIQXHZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 192.8 ChemAxon polarizability 75.73 ChemAxon rotatable_bond_count 32 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 47796 Specdb::CMs 529450 Specdb::CMs 792574 Specdb::MsMs 1313725 Specdb::MsMs 1313726 Specdb::MsMs 1313727 Specdb::MsMs 1428202 Specdb::MsMs 1428203 Specdb::MsMs 1428204 Specdb::MsMs 2374635 Specdb::MsMs 2374636 Specdb::MsMs 2374637 Specdb::MsMs 2560659 Specdb::MsMs 2560660 Specdb::MsMs 2560661 25260623