1.0 2020-03-04 17:05:24 UTC 2020-04-22 16:06:45 UTC BMDB0065632 BMDB65632 DG(a-21:0/20:0/0:0) 1-anteisoheneicosanoyl-2-arachidoyl-sn-glycerol DG(a-21:0/20:0) DG(41:0) Dag(a-21:0/20:0) Dag(41:0) Diacylglycerol(a-21:0/20:0) Diacylglycerol(41:0) Diacylglycerol Diglyceride DG(a-21:0/20:0/0:0) 1-anteisoheneicosanoyl-2-eicosanoyl-sn-glycerol 1-anteisoheneicosanoyl-2-arachidonyl-sn-glycerol (2S)-3-Hydroxy-2-(icosanoyloxy)propyl 18-methylicosanoic acid C44H86O5 695.167 694.647525869 (2S)-3-hydroxy-2-(icosanoyloxy)propyl 18-methylicosanoate (2S)-3-hydroxy-2-(icosanoyloxy)propyl 18-methylicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C44H86O5/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-32-35-38-44(47)49-42(39-45)40-48-43(46)37-34-31-28-25-22-19-17-16-18-21-24-27-30-33-36-41(3)5-2/h41-42,45H,4-40H2,1-3H3/t41?,42-/m0/s1 WFTJJHWTDMCTFI-QWRJABQPSA-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 10.68 ALOGPS logs -7.72 ALOGPS logp 15.85 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(icosanoyloxy)propyl 18-methylicosanoate ChemAxon average_mass 695.167 ChemAxon mono_mass 694.647525869 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C44H86O5 ChemAxon inchi InChI=1S/C44H86O5/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-32-35-38-44(47)49-42(39-45)40-48-43(46)37-34-31-28-25-22-19-17-16-18-21-24-27-30-33-36-41(3)5-2/h41-42,45H,4-40H2,1-3H3/t41?,42-/m0/s1 ChemAxon inchikey WFTJJHWTDMCTFI-QWRJABQPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 209.06 ChemAxon polarizability 93.65 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 745212 Specdb::CMs 745213 Specdb::MsMs 609241 Specdb::MsMs 609242 Specdb::MsMs 609243 Specdb::MsMs 2378386 Specdb::MsMs 2378387 Specdb::MsMs 2378388 Specdb::MsMs 2742310 Specdb::MsMs 2742311 Specdb::MsMs 2742312 Specdb::MsMs 2939573 Specdb::MsMs 2939574 Specdb::MsMs 2939575 Specdb::MsMs 3047729 Specdb::MsMs 3047730 Specdb::MsMs 3047731 FDB066317 74858659 131802761