1.0 2020-03-04 17:06:34 UTC 2020-04-22 16:07:11 UTC BMDB0065699 BMDB65699 DG(i-22:0/a-13:0/0:0) 1-isodocosanoyl-2-anteisotridecanoyl-sn-glycerol DG(i-22:0/a-13:0) DG(35:0) Dag(i-22:0/a-13:0) Dag(35:0) Diacylglycerol(i-22:0/a-13:0) Diacylglycerol(35:0) Diacylglycerol Diglyceride DG(i-22:0/a-13:0/0:0) (2S)-3-Hydroxy-2-[(10-methyldodecanoyl)oxy]propyl 20-methylhenicosanoic acid C38H74O5 611.005 610.553625483 (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl 20-methylhenicosanoate (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl 20-methylhenicosanoate [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC InChI=1S/C38H74O5/c1-5-35(4)29-25-21-18-19-23-27-31-38(41)43-36(32-39)33-42-37(40)30-26-22-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1 YVSYKQBBJYSPEV-UHBYFKDRSA-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 10.10 ALOGPS logs -7.53 ALOGPS logp 13.02 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-[(10-methyldodecanoyl)oxy]propyl 20-methylhenicosanoate ChemAxon average_mass 611.005 ChemAxon mono_mass 610.553625483 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C38H74O5 ChemAxon inchi InChI=1S/C38H74O5/c1-5-35(4)29-25-21-18-19-23-27-31-38(41)43-36(32-39)33-42-37(40)30-26-22-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-34(2)3/h34-36,39H,5-33H2,1-4H3/t35?,36-/m0/s1 ChemAxon inchikey YVSYKQBBJYSPEV-UHBYFKDRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 181.4 ChemAxon polarizability 80.84 ChemAxon rotatable_bond_count 35 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 50248 Specdb::CMs 516396 Specdb::CMs 792497 Specdb::MsMs 661600 Specdb::MsMs 661601 Specdb::MsMs 661602 Specdb::MsMs 2306001 Specdb::MsMs 2306002 Specdb::MsMs 2306003 Specdb::MsMs 2758680 Specdb::MsMs 2758681 Specdb::MsMs 2758682 Specdb::MsMs 2764704 Specdb::MsMs 2764705 Specdb::MsMs 2764706 Specdb::MsMs 3063190 Specdb::MsMs 3063191 Specdb::MsMs 3063192 FDB066385 74858691 131802793