1.0 2016-09-30 23:35:42 UTC 2020-05-21 16:29:09 UTC BMDB0007356 BMDB07356 DG(20:0/14:0/0:0) 1-Arachidonyl-2-myristoyl-sn-glycerol DAG(20:0/14:0) Diglyceride Diacylglycerol(20:0/14:0) Diacylglycerol DG(34:0) DAG(34:0) Diacylglycerol(34:0) 1-Eicosanoyl-2-tetradecanoyl-sn-glycerol DG(20:0/14:0) DG(20:0/14:0/0:0) C37H72O5 596.9646 596.537975414 (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl icosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 YDLMMTKGYJYOBB-DHUJRADRSA-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 10.16 ALOGPS logs -7.52 ALOGPS logp 12.89 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(tetradecanoyloxy)propyl icosanoate ChemAxon average_mass 596.9646 ChemAxon mono_mass 596.537975414 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C37H72O5 ChemAxon inchi InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 ChemAxon inchikey YDLMMTKGYJYOBB-DHUJRADRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.9 ChemAxon polarizability 79.64 ChemAxon rotatable_bond_count 36 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(20:0/14:0/12:0) SMP0108248 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/13:0) SMP0108295 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/19:0) SMP0108249 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/21:0) SMP0108271 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/a-13:0) SMP0109119 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/a-15:0) SMP0109120 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/a-17:0) SMP0109121 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/a-21:0) SMP0109122 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/a-25:0) SMP0109123 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-12:0) SMP0109124 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-13:0) SMP0109125 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-14:0) SMP0109126 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-15:0) SMP0109127 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-16:0) SMP0109128 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-17:0) SMP0109129 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-18:0) SMP0109130 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-19:0) SMP0109131 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-20:0) SMP0109132 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-21:0) SMP0109133 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-22:0) SMP0109134 De Novo Triacylglycerol Biosynthesis TG(20:0/14:0/i-24:0) SMP0109135 Specdb::CMs 39350 Specdb::CMs 456354 Specdb::CMs 791892 Specdb::MsMs 625879 Specdb::MsMs 625880 Specdb::MsMs 625881 Specdb::MsMs 2442610 Specdb::MsMs 2442611 Specdb::MsMs 2442612 Specdb::MsMs 2765420 Specdb::MsMs 2765421 Specdb::MsMs 2765422 Specdb::MsMs 2880725 Specdb::MsMs 2880726 Specdb::MsMs 2880727 Specdb::MsMs 2944249 Specdb::MsMs 2944250 Specdb::MsMs 2944251 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 53478185 FDB024549 89026 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme