1.0 2020-03-04 17:08:39 UTC 2020-05-21 16:29:26 UTC BMDB0065820 BMDB65820 DG(i-24:0/17:0/0:0) 1-isotetracosanoyl-2-margaroyl-sn-glycerol DG(i-24:0/17:0) DG(41:0) Dag(i-24:0/17:0) Dag(41:0) Diacylglycerol(i-24:0/17:0) Diacylglycerol(41:0) Diacylglycerol Diglyceride DG(i-24:0/17:0/0:0) 1-isotetracosanoyl-2-heptadecanoyl-sn-glycerol (2S)-2-(Heptadecanoyloxy)-3-hydroxypropyl 22-methyltricosanoic acid C44H86O5 695.167 694.647525869 (2S)-2-(heptadecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate (2S)-2-(heptadecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-19-23-26-29-32-35-38-44(47)49-42(39-45)40-48-43(46)37-34-31-28-25-22-20-17-15-13-12-14-16-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1 VJYOIJBPUAETOS-WBCKFURZSA-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 10.59 ALOGPS logs -7.72 ALOGPS logp 15.85 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2-(heptadecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate ChemAxon average_mass 695.167 ChemAxon mono_mass 694.647525869 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C44H86O5 ChemAxon inchi InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-19-23-26-29-32-35-38-44(47)49-42(39-45)40-48-43(46)37-34-31-28-25-22-20-17-15-13-12-14-16-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1 ChemAxon inchikey VJYOIJBPUAETOS-WBCKFURZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 209.06 ChemAxon polarizability 93.98 ChemAxon rotatable_bond_count 42 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 745240 Specdb::CMs 745241 Specdb::MsMs 582286 Specdb::MsMs 582287 Specdb::MsMs 582288 Specdb::MsMs 2326503 Specdb::MsMs 2326504 Specdb::MsMs 2326505 Specdb::MsMs 2405078 Specdb::MsMs 2405079 Specdb::MsMs 2405080 Specdb::MsMs 2530428 Specdb::MsMs 2530429 Specdb::MsMs 2530430 Specdb::MsMs 2566208 Specdb::MsMs 2566209 Specdb::MsMs 2566210 FDB066506 74858754 131802855 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme