1.0 2020-03-04 17:10:23 UTC 2020-05-21 16:29:20 UTC BMDB0065910 BMDB65910 DG(a-25:0/a-25:0/0:0) 1-anteisopentacosanoyl-2-anteisopentacosanoyl-sn-glycerol DG(a-25:0/a-25:0) DG(50:0) Dag(a-25:0/a-25:0) Dag(50:0) Diacylglycerol(a-25:0/a-25:0) Diacylglycerol(50:0) Diacylglycerol Diglyceride DG(a-25:0/a-25:0/0:0) 1,2-dianteisopentacosanoyl-rac-glycerol (2S)-1-Hydroxy-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoic acid C53H104O5 821.41 820.788376449 (2S)-1-hydroxy-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-hydroxy-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C53H104O5/c1-5-49(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(55)57-48-51(47-54)58-53(56)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-50(4)6-2/h49-51,54H,5-48H2,1-4H3/t49?,50?,51-/m0/s1 KTEUGLRDKSQHDS-WBJJBJBOSA-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 10.89 ALOGPS logs -7.83 ALOGPS logp 19.69 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 821.41 ChemAxon mono_mass 820.788376449 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C53H104O5 ChemAxon inchi InChI=1S/C53H104O5/c1-5-49(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(55)57-48-51(47-54)58-53(56)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-50(4)6-2/h49-51,54H,5-48H2,1-4H3/t49?,50?,51-/m0/s1 ChemAxon inchikey KTEUGLRDKSQHDS-WBJJBJBOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 250.41 ChemAxon polarizability 112.54 ChemAxon rotatable_bond_count 50 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 791251 Specdb::MsMs 591220 Specdb::MsMs 591221 Specdb::MsMs 591222 Specdb::MsMs 2393962 Specdb::MsMs 2393963 Specdb::MsMs 2393964 Specdb::MsMs 2482975 Specdb::MsMs 2482976 Specdb::MsMs 2482977 Specdb::MsMs 2571239 Specdb::MsMs 2571240 Specdb::MsMs 2571241 Specdb::MsMs 2799691 Specdb::MsMs 2799692 Specdb::MsMs 2799693 FDB066596 74858799 131802900 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme