1.0 2016-09-30 23:40:21 UTC 2020-05-21 16:29:13 UTC BMDB0007588 BMDB07588 DG(22:0/14:0/0:0) DAG(36:0) 1-Behenoyl-2-myristoyl-sn-glycerol Diacylglycerol(36:0) Diglyceride DG(22:0/14:0) Diacylglycerol(22:0/14:0) Diacylglycerol DAG(22:0/14:0) 1-Docosanoyl-2-tetradecanoyl-sn-glycerol DG(36:0) DG(22:0/14:0/0:0) C39H76O5 625.0177 624.569275542 (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl docosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 GPTYHEUZPNNEAA-QNGWXLTQSA-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 Solid logp 10.37 ALOGPS logs -7.58 ALOGPS logp 13.78 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl docosanoate ChemAxon average_mass 625.0177 ChemAxon mono_mass 624.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C39H76O5 ChemAxon inchi InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-23-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1 ChemAxon inchikey GPTYHEUZPNNEAA-QNGWXLTQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 186.1 ChemAxon polarizability 83.95 ChemAxon rotatable_bond_count 38 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(22:0/14:0/10:0) SMP0108440 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/13:0) SMP0108422 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/a-13:0) SMP0109794 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/a-15:0) SMP0109795 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/a-17:0) SMP0109796 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/a-21:0) SMP0109797 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/a-25:0) SMP0109798 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-12:0) SMP0109799 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-13:0) SMP0109800 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-14:0) SMP0109801 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-15:0) SMP0109802 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-16:0) SMP0109803 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-17:0) SMP0109804 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-18:0) SMP0109805 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-19:0) SMP0109806 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-20:0) SMP0109807 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-21:0) SMP0109808 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-22:0) SMP0109809 De Novo Triacylglycerol Biosynthesis TG(22:0/14:0/i-24:0) SMP0109810 Specdb::CMs 39390 Specdb::CMs 560797 Specdb::CMs 792958 Specdb::MsMs 639550 Specdb::MsMs 639551 Specdb::MsMs 639552 Specdb::MsMs 2686572 Specdb::MsMs 2686573 Specdb::MsMs 2686574 Specdb::MsMs 2982848 Specdb::MsMs 2982849 Specdb::MsMs 2982850 Specdb::MsMs 2992826 Specdb::MsMs 2992827 Specdb::MsMs 2992828 Specdb::MsMs 3119851 Specdb::MsMs 3119852 Specdb::MsMs 3119853 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 90068 53478359 FDB024781 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme