1.0 2020-03-04 16:52:21 UTC 2020-04-22 16:02:05 UTC BMDB0064893 BMDB64893 DG(16:0/0:0/i-13:0) 1-Hexadecanoyl-3-isotridecanoyl-sn-glycerol DAG(16:0/0:0/I-13:0) Diacylglycerol(29:0) Diacylglycerol(16:0/0:0/i-13:0) 1-Palmitoyl-3-isotridecanoyl-sn-glycerol DG(29:0) Diglyceride DAG(29:0) Diacylglycerol DG(16:0/0:0/i-13:0) C32H62O5 526.843 526.459725096 (2R)-2-hydroxy-3-[(11-methyldodecanoyl)oxy]propyl hexadecanoate (2R)-2-hydroxy-3-[(11-methyldodecanoyl)oxy]propyl hexadecanoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1 PMKPJIGIGAUZFP-SSEXGKCCSA-N belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. Organic compounds Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1,3-diacylglycerols Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols 1,3-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 Secondary alcohol Aliphatic acyclic compounds logp 9.28 ALOGPS logs -7.26 ALOGPS logp 10.51 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(11-methyldodecanoyl)oxy]propyl hexadecanoate ChemAxon average_mass 526.843 ChemAxon mono_mass 526.459725096 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C ChemAxon formula C32H62O5 ChemAxon inchi InChI=1S/C32H62O5/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-31(34)36-27-30(33)28-37-32(35)26-23-20-17-14-15-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3/t30-/m1/s1 ChemAxon inchikey PMKPJIGIGAUZFP-SSEXGKCCSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 153.84 ChemAxon polarizability 69.29 ChemAxon rotatable_bond_count 30 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 49781 Specdb::MsMs 2666863 Specdb::MsMs 2666864 Specdb::MsMs 2666865 Specdb::MsMs 3011490 Specdb::MsMs 3011491 Specdb::MsMs 3011492 59692290 131799535 FDB065581