1.0 2020-03-25 15:56:07 UTC 2020-04-22 18:59:03 UTC BMDB0096584 DG(24:1n9/0:0/18:3n6) (2R)-2-Hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (15Z)-tetracos-15-enoic acid Diglyceride DG(42:4) DAG(24:1/0:0/18:3) Diacylglycerol(24:1W9/0:0/18:3W6) DG(24:1/0:0/18:3) DAG(24:1N9/0:0/18:3N6) Diacylglycerol(42:4) DAG(42:4) Diacylglycerol 1-Nervonoyl-3-g-linolenoyl-sn-glycerol DG(24:1W9/0:0/18:3W6) DAG(24:1W9/0:0/18:3W6) Diacylglycerol(24:1n9/0:0/18:3n6) 1-(15Z-Tetracosanoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol Diacylglycerol(24:1/0:0/18:3) DG(24:1n9/0:0/18:3n6) C45H80O5 701.13 700.600575676 (2R)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-/t43-/m0/s1 CVZYSNLBPQZFFI-KZDXCXIPSA-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 10.60 ALOGPS logs -7.85 ALOGPS logp 15 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 701.13 ChemAxon mono_mass 700.600575676 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C45H80O5 ChemAxon inchi InChI=1S/C45H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-42-43(46)41-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,43,46H,3-11,13,15-16,20-24,26-28,30,32-42H2,1-2H3/b14-12-,19-17-,25-18-,31-29-/t43-/m0/s1 ChemAxon inchikey CVZYSNLBPQZFFI-KZDXCXIPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 218.18 ChemAxon polarizability 91.82 ChemAxon rotatable_bond_count 40 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 244494 Specdb::CMs 749241 Specdb::CMs 749242 Specdb::MsMs 2386427 Specdb::MsMs 2386428 Specdb::MsMs 2386429 Specdb::MsMs 2578752 Specdb::MsMs 2578753 Specdb::MsMs 2578754 74854617 131801970 FDB098729