1.0 2020-03-04 17:04:55 UTC 2020-05-21 16:29:23 UTC BMDB0065604 BMDB65604 DG(i-21:0/18:0/0:0) 1-isoheneicosanoyl-2-stearoyl-sn-glycerol DG(i-21:0/18:0) DG(39:0) Dag(i-21:0/18:0) Dag(39:0) Diacylglycerol(i-21:0/18:0) Diacylglycerol(39:0) Diacylglycerol Diglyceride DG(i-21:0/18:0/0:0) 1-isoheneicosanoyl-2-octadecanoyl-sn-glycerol (2S)-3-Hydroxy-2-(octadecanoyloxy)propyl 19-methylicosanoic acid C42H82O5 667.113 666.61622574 (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 19-methylicosanoate (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 19-methylicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-13-18-21-24-27-30-33-36-42(45)47-40(37-43)38-46-41(44)35-32-29-26-23-20-17-15-12-14-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m0/s1 QHJJBUOYDAUIJG-FAIXQHPJSA-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 10.48 ALOGPS logs -7.65 ALOGPS logp 14.96 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(octadecanoyloxy)propyl 19-methylicosanoate ChemAxon average_mass 667.113 ChemAxon mono_mass 666.61622574 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C42H82O5 ChemAxon inchi InChI=1S/C42H82O5/c1-4-5-6-7-8-9-10-11-13-18-21-24-27-30-33-36-42(45)47-40(37-43)38-46-41(44)35-32-29-26-23-20-17-15-12-14-16-19-22-25-28-31-34-39(2)3/h39-40,43H,4-38H2,1-3H3/t40-/m0/s1 ChemAxon inchikey QHJJBUOYDAUIJG-FAIXQHPJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 199.85 ChemAxon polarizability 89.58 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 700346 Specdb::CMs 700347 Specdb::MsMs 679354 Specdb::MsMs 679355 Specdb::MsMs 679356 Specdb::MsMs 2371195 Specdb::MsMs 2371196 Specdb::MsMs 2371197 Specdb::MsMs 2753992 Specdb::MsMs 2753993 Specdb::MsMs 2753994 Specdb::MsMs 2930001 Specdb::MsMs 2930002 Specdb::MsMs 2930003 Specdb::MsMs 2951244 Specdb::MsMs 2951245 Specdb::MsMs 2951246 FDB066289 74858645 131802747 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme