1.0 2016-09-30 23:38:36 UTC 2020-05-21 16:26:44 UTC BMDB0007500 BMDB07500 DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0), also known as DAG(20:3/24:1) or dg(20:3(8z,11z,14z)/24:1(15z)/0:0), belongs to the class of organic compounds known as 1,2-dg(20:3(8z,11z,14z)/24:1(15z)/0:0)s. These are dg(20:3(8z,11z,14z)/24:1(15z)/0:0)s containing a glycerol acylated at positions 1 and 2. DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). CDP-Ethanolamine and DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) can be converted into cytidine monophosphate and PE(20:3(8Z,11Z,14Z)/24:1(15Z)); which is catalyzed by the enzyme choline/ethanolaminephosphotransferase. In cattle, DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) is involved in the metabolic pathway called phosphatidylethanolamine biosynthesis pe(20:3(8Z,11Z,14Z)/24:1(15Z)) pathway. 1-Homo-g-linolenoyl-2-nervonoyl-sn-glycerol DAG(20:3/24:1) Diacylglycerol(20:3/24:1) DG(44:4) Diacylglycerol DG(20:3/24:1) Diacylglycerol(44:4) DAG(44:4) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(15Z-tetracosanoyl)-sn-glycerol Diglyceride DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0) C47H84O5 729.1669 728.631875798 (2S)-1-hydroxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C47H84O5/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/h12,14,17-20,27,29,45,48H,3-11,13,15-16,21-26,28,30-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-/t45-/m0/s1 DCHJVHKCIZDSCM-XJRQMTBGSA-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 10.71 ALOGPS logs -7.93 ALOGPS logp 15.89 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 (15Z)-tetracos-15-enoate ChemAxon average_mass 729.1669 ChemAxon mono_mass 728.631875798 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C47H84O5 ChemAxon inchi InChI=1S/C47H84O5/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/h12,14,17-20,27,29,45,48H,3-11,13,15-16,21-26,28,30-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-/t45-/m0/s1 ChemAxon inchikey DCHJVHKCIZDSCM-XJRQMTBGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 227.38 ChemAxon polarizability 94.93 ChemAxon rotatable_bond_count 42 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)/24:1(15Z)/24:1(15Z)) SMP0076786 Phosphatidylcholine Biosynthesis PC(20:3(8Z,11Z,14Z)/24:1(15Z)) SMP0080786 Phosphatidylethanolamine Biosynthesis PE(20:3(8Z,11Z,14Z)/24:1(15Z)) SMP0082595 Specdb::CMs 765637 Specdb::CMs 765638 Specdb::MsMs 619114 Specdb::MsMs 619115 Specdb::MsMs 619116 Specdb::MsMs 2353420 Specdb::MsMs 2353421 Specdb::MsMs 2353422 Specdb::MsMs 2586082 Specdb::MsMs 2586083 Specdb::MsMs 2586084 Specdb::MsMs 2804091 Specdb::MsMs 2804092 Specdb::MsMs 2804093 Specdb::MsMs 2908188 Specdb::MsMs 2908189 Specdb::MsMs 2908190 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 53478286 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme