1.0 2020-03-25 15:37:58 UTC 2020-04-22 18:57:39 UTC BMDB0096363 DG(18:0/0:0/18:2n6) (2R)-2-Hydroxy-3-(octadecanoyloxy)propyl (9Z,12Z)-nonadeca-9,12-dienoic acid DAG(18:0/0:0/18:2N6) DG(36:2) Diacylglycerol(36:2) Diacylglycerol(18:0/0:0/18:2) DAG(36:2) DAG(18:0/0:0/18:2) Diglyceride DAG(18:0/0:0/18:2W6) Diacylglycerol(18:0/0:0/18:2n6) DG(18:0/0:0/18:2) Diacylglycerol(18:0/0:0/18:2W6) Diacylglycerol 1-Stearoyl-3-linoleoyl-sn-glycerol 1-Octadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol DG(18:0/0:0/18:2W6) DG(18:0/0:0/18:2n6) C40H74O5 635.027 634.553625483 (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z,12Z)-nonadeca-9,12-dienoate (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z,12Z)-nonadeca-9,12-dienoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,38,41H,3-12,14,16-18,20,22-37H2,1-2H3/b15-13-,21-19-/t38-/m1/s1 QTHIFWAMNZHBFZ-UPALSPQFSA-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 10.41 ALOGPS logs -7.74 ALOGPS logp 13.5 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(octadecanoyloxy)propyl (9Z,12Z)-nonadeca-9,12-dienoate ChemAxon average_mass 635.027 ChemAxon mono_mass 634.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC ChemAxon formula C40H74O5 ChemAxon inchi InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,38,41H,3-12,14,16-18,20,22-37H2,1-2H3/b15-13-,21-19-/t38-/m1/s1 ChemAxon inchikey QTHIFWAMNZHBFZ-UPALSPQFSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 192.94 ChemAxon polarizability 83.87 ChemAxon rotatable_bond_count 37 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 592844 Specdb::CMs 592845 Specdb::CMs 793243 Specdb::MsMs 2741767 Specdb::MsMs 2741768 Specdb::MsMs 2741769 Specdb::MsMs 2940971 Specdb::MsMs 2940972 Specdb::MsMs 2940973 74854412 131801766 FDB098508