1.0 2016-09-30 23:35:48 UTC 2020-06-04 20:14:25 UTC BMDB0007361 BMDB07361 DG(20:0/18:0/0:0) DG(20:0/18:0/0:0), also known as diacylglycerol(38:0) or DG(20:0/18:0), belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Thus, DG(20:0/18:0/0:0) is considered to be a diradylglycerol lipid molecule. DG(20:0/18:0/0:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. DAG(38:0) Diacylglycerol(38:0) Diglyceride DG(20:0/18:0) Diacylglycerol DAG(20:0/18:0) DG(38:0) 1-Arachidonyl-2-stearoyl-sn-glycerol 1-Eicosanoyl-2-octadecanoyl-sn-glycerol Diacylglycerol(20:0/18:0) DG(20:0/18:0/0:0) C41H80O5 653.0709 652.60057567 (2S)-3-hydroxy-2-(octadecanoyloxy)propyl icosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1 SCGCTMVKIGULND-KDXMTYKHSA-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 Diacylglycerols Solid logp 10.51 ALOGPS logs -7.63 ALOGPS logp 14.67 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(octadecanoyloxy)propyl icosanoate ChemAxon average_mass 653.0709 ChemAxon mono_mass 652.60057567 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C41H80O5 ChemAxon inchi InChI=1S/C41H80O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h39,42H,3-38H2,1-2H3/t39-/m0/s1 ChemAxon inchikey SCGCTMVKIGULND-KDXMTYKHSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 195.3 ChemAxon polarizability 88.19 ChemAxon rotatable_bond_count 40 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 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/10:0) SMP0108315 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/13:0) SMP0108307 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/17:0) SMP0108273 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/21:0) SMP0108323 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/8:0) SMP0108287 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/a-13:0) SMP0109187 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/a-15:0) SMP0109188 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/a-17:0) SMP0109189 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/a-21:0) SMP0109190 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/a-25:0) SMP0109191 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-12:0) SMP0109192 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-13:0) SMP0109193 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-14:0) SMP0109194 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-15:0) SMP0109195 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-16:0) SMP0109196 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-17:0) SMP0109197 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-18:0) SMP0109198 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-19:0) SMP0109199 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-20:0) SMP0109200 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-21:0) SMP0109201 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-22:0) SMP0109202 De Novo Triacylglycerol Biosynthesis TG(20:0/18:0/i-24:0) SMP0109203 Specdb::CMs 646752 Specdb::CMs 646753 Specdb::CMs 793863 Specdb::MsMs 622180 Specdb::MsMs 622181 Specdb::MsMs 622182 Specdb::MsMs 1459487 Specdb::MsMs 1459488 Specdb::MsMs 1459489 Specdb::MsMs 2286601 Specdb::MsMs 2286602 Specdb::MsMs 2286603 Specdb::MsMs 2764185 Specdb::MsMs 2764186 Specdb::MsMs 2764187 Specdb::MsMs 2941226 Specdb::MsMs 2941227 Specdb::MsMs 2941228 Specdb::MsMs 3031475 Specdb::MsMs 3031476 Specdb::MsMs 3031477 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk 6.1 +/- 0.1 uM Commercial 1% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 38 +/- 1 uM Commercial 2% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 57 +/- 1 uM Commercial 3.25% milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 Milk 1.6 +/- 0.1 uM Commercial skim milk by LC-HRMS Foroutan A, Guo AC, Vazquez-Fresno R, Lipfert M, Zhang L, Zheng J, Badran H, Budinski Z, Mandal R, Ametaj BN, Wishart DS: Chemical Composition of Commercial Cow's Milk. J Agric Food Chem. 2019 Apr 17. doi: 10.1021/acs.jafc.9b00204. 30994344 3246949 89002 FDB024554 A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation) BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme