1.0 2016-09-30 23:38:35 UTC 2020-05-21 16:26:44 UTC BMDB0007499 BMDB07499 DG(20:3(8Z,11Z,14Z)/24:0/0:0) DG(20:3(8Z,11Z,14Z)/24:0/0:0), also known as dg(20:3(8z,11z,14z)/24:0/0:0) or DG(20:3/24:0), belongs to the class of organic compounds known as 1,2-dg(20:3(8z,11z,14z)/24:0/0:0)s. These are dg(20:3(8z,11z,14z)/24:0/0:0)s containing a glycerol acylated at positions 1 and 2. DG(20:3(8Z,11Z,14Z)/24:0/0:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). DG(20:3(8Z,11Z,14Z)/24:0/0:0) participates in a number of enzymatic reactions, within cattle. In particular, DG(20:3(8Z,11Z,14Z)/24:0/0:0) can be biosynthesized from PA(20:3(8Z,11Z,14Z)/24:0); which is mediated by the enzyme phosphatidate phosphatase. Furthermore, DG(20:3(8Z,11Z,14Z)/24:0/0:0) and nervonoyl-CoA can be converted into TG(20:3(8Z,11Z,14Z)/24:0/24:1(15Z)); which is catalyzed by the enzyme dg(20:3(8z,11z,14z)/24:0/0:0) O-acyltransferase. Furthermore, DG(20:3(8Z,11Z,14Z)/24:0/0:0) can be biosynthesized from PA(20:3(8Z,11Z,14Z)/24:0); which is mediated by the enzyme phosphatidate phosphatase. Finally, DG(20:3(8Z,11Z,14Z)/24:0/0:0) and tetracosanoyl-CoA can be converted into TG(20:3(8Z,11Z,14Z)/24:0/24:0); which is mediated by the enzyme dg(20:3(8z,11z,14z)/24:0/0:0) O-acyltransferase. In cattle, DG(20:3(8Z,11Z,14Z)/24:0/0:0) is involved in a couple of metabolic pathways, which include de novo triacylglycerol biosynthesis TG(20:3(8Z,11Z,14Z)/24:0/24:1(15Z)) pathway and de novo triacylglycerol biosynthesis TG(20:3(8Z,11Z,14Z)/24:0/24:0) pathway. 1-Homo-g-linolenoyl-2-lignoceroyl-sn-glycerol DAG(44:3) DG(44:3) Diglyceride Diacylglycerol(44:3) Diacylglycerol(20:3/24:0) Diacylglycerol DG(20:3/24:0) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-tetracosanoyl-sn-glycerol DAG(20:3/24:0) DG(20:3(8Z,11Z,14Z)/24:0/0:0) C47H86O5 731.1827 730.647525862 (2S)-1-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl tetracosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,45,48H,3-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b14-12-,20-18-,29-27-/t45-/m0/s1 ATXBLHGCQSRQNV-FDVSJJDCSA-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 10.84 ALOGPS logs -7.90 ALOGPS logp 16.25 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 731.1827 ChemAxon mono_mass 730.647525862 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C47H86O5 ChemAxon inchi InChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,45,48H,3-11,13,15-17,19,21-26,28,30-44H2,1-2H3/b14-12-,20-18-,29-27-/t45-/m0/s1 ChemAxon inchikey ATXBLHGCQSRQNV-FDVSJJDCSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 226.26 ChemAxon polarizability 96.72 ChemAxon rotatable_bond_count 43 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(20:3(8Z,11Z,14Z)/24:0/24:0) SMP0076784 De Novo Triacylglycerol Biosynthesis TG(20:3(8Z,11Z,14Z)/24:0/24:1(15Z)) SMP0076785 Phosphatidylcholine Biosynthesis PC(20:3(8Z,11Z,14Z)/24:0) SMP0080785 Phosphatidylethanolamine Biosynthesis PE(20:3(8Z,11Z,14Z)/24:0) SMP0082594 Specdb::MsMs 596599 Specdb::MsMs 596600 Specdb::MsMs 596601 Specdb::MsMs 2334772 Specdb::MsMs 2334773 Specdb::MsMs 2334774 Specdb::MsMs 2756200 Specdb::MsMs 2756201 Specdb::MsMs 2756202 Specdb::MsMs 2953203 Specdb::MsMs 2953204 Specdb::MsMs 2953205 Specdb::MsMs 3041458 Specdb::MsMs 3041459 Specdb::MsMs 3041460 Specdb::CMs 766003 Specdb::CMs 766004 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 53478285 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme