1.0 2020-03-25 15:35:22 UTC 2020-04-22 18:57:27 UTC BMDB0096332 DG(16:0/0:0/18:1n9) 1-Hexadecanoyl-3-(9Z)-octadecenoyl-sn-glycerol 1-Hexadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol DAG(16:0/0:0/18:1) DAG(34:1) DG(16:0/0:0/18:1) DG(16:0/0:0/18:1OMEGA9) DG(34:1) DG[16:0/0:0/18:1(omega-9)] Diacylglycerol(16:0/0:0/18:1) Diacylglycerol(16:0/0:0/18:1omega9) Diacylglycerol(34:1) [(2R)-3-Hexadecanoyloxy-2-hydroxypropyl] (Z)-octadec-9-enoic acid Diacylglycerol(16:0/0:0/18:1W9) DG(16:0/0:0/18:1W9) Diglyceride DAG(16:0/0:0/18:1N9) Diacylglycerol(16:0/0:0/18:1n9) Diacylglycerol 1-Palmitoyl-3-oleoyl-sn-glycerol DAG(16:0/0:0/18:1W9) DG(16:0/0:0/18:1n9) C37H70O5 594.962 594.522325354 (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z)-octadec-9-enoate (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z)-octadec-9-enoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m1/s1 NBBXPULYBQASLG-QEJMHMKOSA-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 1,3-diacyl-sn-glycerol 1-oleoyl-3-palmitoylglycerol diacylglycerol 34:1 logp 10.13 ALOGPS logs -7.54 ALOGPS logp 12.53 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl (9Z)-octadec-9-enoate ChemAxon average_mass 594.962 ChemAxon mono_mass 594.522325354 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C37H70O5 ChemAxon inchi InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m1/s1 ChemAxon inchikey NBBXPULYBQASLG-QEJMHMKOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 178.02 ChemAxon polarizability 78.69 ChemAxon rotatable_bond_count 35 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 33125 Specdb::CMs 47728 Specdb::CMs 283035 Specdb::CMs 444431 Specdb::MsMs 907861 Specdb::MsMs 907862 Specdb::MsMs 907863 Specdb::MsMs 954511 Specdb::MsMs 954512 Specdb::MsMs 954513 Specdb::MsMs 2800804 Specdb::MsMs 2800805 Specdb::MsMs 2800806 Specdb::MsMs 2878637 Specdb::MsMs 2878638 Specdb::MsMs 2878639 Specdb::NmrOneD 322772 Specdb::NmrOneD 322773 Specdb::NmrOneD 322774 Specdb::NmrOneD 322775 Specdb::NmrOneD 322776 Specdb::NmrOneD 322777 Specdb::NmrOneD 322778 Specdb::NmrOneD 322779 Specdb::NmrOneD 322780 Specdb::NmrOneD 322781 Specdb::NmrOneD 322782 Specdb::NmrOneD 322783 Specdb::NmrOneD 322784 Specdb::NmrOneD 322785 Specdb::NmrOneD 322786 Specdb::NmrOneD 322787 Specdb::NmrOneD 322788 Specdb::NmrOneD 322789 Specdb::NmrOneD 322790 Specdb::NmrOneD 322791 30785719 71768100 75868