1.0 2020-03-25 15:54:47 UTC 2020-04-22 18:58:57 UTC BMDB0096568 DG(22:1n9/0:0/18:2n6) (2R)-2-Hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoic acid Diacylglycerol(22:1/0:0/18:2) Diacylglycerol(22:1n9/0:0/18:2n6) DAG(22:1/0:0/18:2) DAG(22:1W9/0:0/18:2W6) Diacylglycerol(40:3) Diglyceride DAG(22:1N9/0:0/18:2N6) DG(22:1/0:0/18:2) 1-Erucoyl-3-linoleoyl-sn-glycerol Diacylglycerol Diacylglycerol(22:1W9/0:0/18:2W6) DG(22:1W9/0:0/18:2W6) DG(40:3) 1-(13Z-Docosenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol DAG(40:3) DG(22:1n9/0:0/18:2n6) C44H80O5 689.119 688.600575676 (2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate (2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate [H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,24,42,45H,3-13,15,18,21-23,25-41H2,1-2H3/b16-14-,19-17-,24-20-/t42-/m0/s1 ZRHLLYXUUATGHJ-NNYYJZEZSA-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 10.63 ALOGPS logs -7.83 ALOGPS logp 14.92 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate ChemAxon average_mass 689.119 ChemAxon mono_mass 688.600575676 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC ChemAxon formula C44H80O5 ChemAxon inchi InChI=1S/C44H80O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,24,42,45H,3-13,15,18,21-23,25-41H2,1-2H3/b16-14-,19-17-,24-20-/t42-/m0/s1 ChemAxon inchikey ZRHLLYXUUATGHJ-NNYYJZEZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 212.46 ChemAxon polarizability 90.77 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 203178 Specdb::CMs 734732 Specdb::CMs 734733 Specdb::MsMs 2432959 Specdb::MsMs 2432960 Specdb::MsMs 2432961 Specdb::MsMs 2502671 Specdb::MsMs 2502672 Specdb::MsMs 2502673 74854602 131801955 FDB098713 184811