1.0 2020-03-25 15:48:38 UTC 2020-04-22 18:58:28 UTC BMDB0096493 DG(18:1n7/0:0/18:1n9) Diacylglycerol(18:1n7/0:0/18:1n9) Diacylglycerol(18:1W7/0:0/18:1W9) Diacylglycerol(36:2) DAG(18:1W7/0:0/18:1W9) DAG(18:1/0:0/18:1) DG(18:1/0:0/18:1) DAG(36:2) DG(36:2) Diglyceride Diacylglycerol(18:1/0:0/18:1) DG(18:1W7/0:0/18:1W9) Diacylglycerol 1-Vaccenoyl-3-oleoyl-sn-glycerol 1-(11Z-Octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol DAG(18:1N7/0:0/18:1N9) DG(18:1n7/0:0/18:1n9) C39H72O5 621.0 620.537975418 (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-octadec-11-enoate (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-octadec-11-enoate [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C39H72O5/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/h13,15,18,20,37,40H,3-12,14,16-17,19,21-36H2,1-2H3/b15-13-,20-18-/t37-/m1/s1 OSZBVLHCZPJBFL-SLLMOJSDSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 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 Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds logp 10.28 ALOGPS logs -7.71 ALOGPS logp 13.06 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl (11Z)-octadec-11-enoate ChemAxon average_mass 621.0 ChemAxon mono_mass 620.537975418 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C39H72O5 ChemAxon inchi InChI=1S/C39H72O5/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/h13,15,18,20,37,40H,3-12,14,16-17,19,21-36H2,1-2H3/b15-13-,20-18-/t37-/m1/s1 ChemAxon inchikey OSZBVLHCZPJBFL-SLLMOJSDSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 188.34 ChemAxon polarizability 81.42 ChemAxon rotatable_bond_count 36 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 47787 Specdb::CMs 247652 Specdb::CMs 544314 Specdb::CMs 792820 Specdb::MsMs 29168 Specdb::MsMs 29169 Specdb::MsMs 29170 Specdb::MsMs 35726 Specdb::MsMs 35727 Specdb::MsMs 35728 Specdb::MsMs 2676289 Specdb::MsMs 2676290 Specdb::MsMs 2676291 Specdb::MsMs 3029486 Specdb::MsMs 3029487 Specdb::MsMs 3029488 131801887