1.0 2020-03-04 16:39:04 UTC 2020-05-21 16:29:14 UTC BMDB0064185 BMDB64185 DG(8:0/14:0/0:0) 1-Capryloyl-2-myristoyl-sn-glycerol DG(22:0) DAG(8:0/14:0/0:0) DAG(22:0) Diacylglycerol(8:0/14:0/0:0) Diacylglycerol(22:0) Diacylglycerol Diglyceride 1-Capryloyl-2-tetradecanoyl-sn-glycerol 1-Octanoyl-2-myristoyl-sn-glycerol Diacylglycerol(8:0/14:0) DG(8:0/14:0) DAG(8:0/14:0) (2S)-1-Hydroxy-3-(octanoyloxy)propan-2-yl tetradecanoic acid 1-capryloyl-2-myristoyl-sn-glycerol DG(22:0) Dag(8:0/14:0/0:0) Dag(22:0) Diacylglycerol(8:0/14:0/0:0) Diacylglycerol(22:0) Diacylglycerol DG(8:0/14:0/0:0) C25H48O5 428.654 428.350174646 (2S)-1-hydroxy-3-(octanoyloxy)propan-2-yl tetradecanoate (2S)-1-hydroxy-3-(octanoyloxy)propan-2-yl tetradecanoate [H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C25H48O5/c1-3-5-7-9-10-11-12-13-14-16-18-20-25(28)30-23(21-26)22-29-24(27)19-17-15-8-6-4-2/h23,26H,3-22H2,1-2H3/t23-/m0/s1 ROYCWMXNUZXVLE-QHCPKHFHSA-N belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,2-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols 1,2-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 Primary alcohol Aliphatic acyclic compounds logp 7.53 ALOGPS logs -6.47 ALOGPS logp 7.56 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octanoyloxy)propan-2-yl tetradecanoate ChemAxon average_mass 428.654 ChemAxon mono_mass 428.350174646 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C25H48O5 ChemAxon inchi InChI=1S/C25H48O5/c1-3-5-7-9-10-11-12-13-14-16-18-20-25(28)30-23(21-26)22-29-24(27)19-17-15-8-6-4-2/h23,26H,3-22H2,1-2H3/t23-/m0/s1 ChemAxon inchikey ROYCWMXNUZXVLE-QHCPKHFHSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 121.69 ChemAxon polarizability 53.75 ChemAxon rotatable_bond_count 24 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 49121 Specdb::CMs 171741 Specdb::MsMs 565639 Specdb::MsMs 565640 Specdb::MsMs 565641 Specdb::MsMs 2623619 Specdb::MsMs 2623620 Specdb::MsMs 2623621 Specdb::MsMs 2807477 Specdb::MsMs 2807478 Specdb::MsMs 2807479 Specdb::MsMs 2898684 Specdb::MsMs 2898685 Specdb::MsMs 2898686 Specdb::MsMs 2953194 Specdb::MsMs 2953195 Specdb::MsMs 2953196 74857963 131802088 FDB064875 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme