1.0 2020-03-04 17:10:21 UTC 2020-04-22 16:08:30 UTC BMDB0065908 BMDB65908 DG(a-25:0/i-24:0/0:0) 1-anteisopentacosanoyl-2-isotetracosanoyl-sn-glycerol DG(a-25:0/i-24:0) DG(49:0) Dag(a-25:0/i-24:0) Dag(49:0) Diacylglycerol(a-25:0/i-24:0) Diacylglycerol(49:0) Diacylglycerol Diglyceride DG(a-25:0/i-24:0/0:0) (2S)-3-Hydroxy-2-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoic acid C52H102O5 807.383 806.772726384 (2S)-3-hydroxy-2-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate (2S)-3-hydroxy-2-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C52H102O5/c1-5-49(4)43-39-35-31-27-23-19-15-11-7-9-12-16-20-24-28-32-36-40-44-51(54)56-47-50(46-53)57-52(55)45-41-37-33-29-25-21-17-13-8-6-10-14-18-22-26-30-34-38-42-48(2)3/h48-50,53H,5-47H2,1-4H3/t49?,50-/m0/s1 FLGRURAOAAMENT-GOOVXGPGSA-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 10.81 ALOGPS logs -7.82 ALOGPS logp 19.25 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 807.383 ChemAxon mono_mass 806.772726384 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C52H102O5 ChemAxon inchi InChI=1S/C52H102O5/c1-5-49(4)43-39-35-31-27-23-19-15-11-7-9-12-16-20-24-28-32-36-40-44-51(54)56-47-50(46-53)57-52(55)45-41-37-33-29-25-21-17-13-8-6-10-14-18-22-26-30-34-38-42-48(2)3/h48-50,53H,5-47H2,1-4H3/t49?,50-/m0/s1 ChemAxon inchikey FLGRURAOAAMENT-GOOVXGPGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 245.81 ChemAxon polarizability 110.53 ChemAxon rotatable_bond_count 49 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 788837 Specdb::MsMs 683137 Specdb::MsMs 683138 Specdb::MsMs 683139 Specdb::MsMs 2330901 Specdb::MsMs 2330902 Specdb::MsMs 2330903 Specdb::MsMs 2680605 Specdb::MsMs 2680606 Specdb::MsMs 2680607 Specdb::MsMs 2981966 Specdb::MsMs 2981967 Specdb::MsMs 2981968 Specdb::MsMs 3025656 Specdb::MsMs 3025657 Specdb::MsMs 3025658 FDB066594 74858798 131802899