1.0 2020-03-04 17:08:45 UTC 2020-05-21 16:29:26 UTC BMDB0065826 BMDB65826 DG(i-24:0/18:0/0:0) 1-isotetracosanoyl-2-stearoyl-sn-glycerol DG(i-24:0/18:0) DG(42:0) Dag(i-24:0/18:0) Dag(42:0) Diacylglycerol(i-24:0/18:0) Diacylglycerol(42:0) Diacylglycerol Diglyceride DG(i-24:0/18:0/0:0) 1-isotetracosanoyl-2-octadecanoyl-sn-glycerol (2S)-3-Hydroxy-2-(octadecanoyloxy)propyl 22-methyltricosanoic acid C45H88O5 709.194 708.663175934 (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 22-methyltricosanoate (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 22-methyltricosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C45H88O5/c1-4-5-6-7-8-9-10-11-16-21-24-27-30-33-36-39-45(48)50-43(40-46)41-49-44(47)38-35-32-29-26-23-20-18-15-13-12-14-17-19-22-25-28-31-34-37-42(2)3/h42-43,46H,4-41H2,1-3H3/t43-/m0/s1 BLFVUFVMGDAISB-QLKFWGTOSA-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 10.62 ALOGPS logs -7.74 ALOGPS logp 16.29 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 22-methyltricosanoate ChemAxon average_mass 709.194 ChemAxon mono_mass 708.663175934 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C45H88O5 ChemAxon inchi InChI=1S/C45H88O5/c1-4-5-6-7-8-9-10-11-16-21-24-27-30-33-36-39-45(48)50-43(40-46)41-49-44(47)38-35-32-29-26-23-20-18-15-13-12-14-17-19-22-25-28-31-34-37-42(2)3/h42-43,46H,4-41H2,1-3H3/t43-/m0/s1 ChemAxon inchikey BLFVUFVMGDAISB-QLKFWGTOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 213.66 ChemAxon polarizability 96.07 ChemAxon rotatable_bond_count 43 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 754265 Specdb::CMs 754266 Specdb::MsMs 650035 Specdb::MsMs 650036 Specdb::MsMs 650037 Specdb::MsMs 2315450 Specdb::MsMs 2315451 Specdb::MsMs 2315452 Specdb::MsMs 2458100 Specdb::MsMs 2458101 Specdb::MsMs 2458102 Specdb::MsMs 2663671 Specdb::MsMs 2663672 Specdb::MsMs 2663673 Specdb::MsMs 3015288 Specdb::MsMs 3015289 Specdb::MsMs 3015290 FDB066512 74858757 131802858 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme