1.0 2020-03-04 17:07:34 UTC 2020-04-22 16:07:33 UTC BMDB0065757 BMDB65757 DG(22:0/i-19:0/0:0) 1-behenoyl-2-isononadecanoyl-sn-glycerol DG(22:0/i-19:0) DG(41:0) Dag(22:0/i-19:0) Dag(41:0) Diacylglycerol(22:0/i-19:0) Diacylglycerol(41:0) Diacylglycerol Diglyceride DG(22:0/i-19:0/0:0) 1-docosanoyl-2-isononadecanoyl-sn-glycerol (2S)-3-Hydroxy-2-[(17-methyloctadecanoyl)oxy]propyl docosanoic acid C44H86O5 695.167 694.647525869 (2S)-3-hydroxy-2-[(17-methyloctadecanoyl)oxy]propyl docosanoate (2S)-3-hydroxy-2-[(17-methyloctadecanoyl)oxy]propyl docosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-43(46)48-40-42(39-45)49-44(47)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1 HLFNMFAMMCEOMO-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)-3-hydroxy-2-[(17-methyloctadecanoyl)oxy]propyl docosanoate ChemAxon average_mass 695.167 ChemAxon mono_mass 694.647525869 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C44H86O5 ChemAxon inchi InChI=1S/C44H86O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-43(46)48-40-42(39-45)49-44(47)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-41(2)3/h41-42,45H,4-40H2,1-3H3/t42-/m0/s1 ChemAxon inchikey HLFNMFAMMCEOMO-WBCKFURZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 209.06 ChemAxon polarizability 93.91 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 745236 Specdb::CMs 745237 Specdb::MsMs 598354 Specdb::MsMs 598355 Specdb::MsMs 598356 Specdb::MsMs 2464989 Specdb::MsMs 2464990 Specdb::MsMs 2464991 Specdb::MsMs 2615685 Specdb::MsMs 2615686 Specdb::MsMs 2615687 Specdb::MsMs 2717427 Specdb::MsMs 2717428 Specdb::MsMs 2717429 Specdb::MsMs 2961519 Specdb::MsMs 2961520 Specdb::MsMs 2961521 FDB066443 74858722 131802824