1.0 2016-09-30 23:32:04 UTC 2020-05-21 16:26:28 UTC BMDB0007175 BMDB07175 DG(18:0/22:2(13Z,16Z)/0:0) DG(18:0/22:2(13Z,16Z)/0:0)[iso2], also known as dg(18:0/22:2(13z,16z)/0:0)[iso2] or DAG(18:0/22:2), belongs to the class of organic compounds known as 1,2-dg(18:0/22:2(13z,16z)/0:0)[iso2]s. These are dg(18:0/22:2(13z,16z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:0/22:2(13Z,16Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:0/22:2(13Z,16Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(18:0/22:2(13Z,16Z)/0:0)[iso2] is involved in a couple of metabolic pathways, which include de novo triacylglycerol biosynthesis TG(18:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) pathway and de novo triacylglycerol biosynthesis TG(18:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) pathway. DG(18:0/22:2(13Z,16Z)/0:0) DG(18:0/22:2) DAG(18:0/22:2) Diacylglycerol(40:2) Diglyceride 1-stearoyl-2-docosadienoyl-sn-glycerol Diacylglycerol Diacylglycerol(18:0/22:2) DG(40:2) 1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycerol DAG(40:2) DAG(18:0/22:2N6) DAG(18:0/22:2W6) DG(18:0/22:2N6) DG(18:0/22:2W6) Diacylglycerol(18:0/22:2n6) Diacylglycerol(18:0/22:2W6) C43H80O5 677.0923 676.60057567 (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1 CPEWURNZWJEDDC-CMFLVMKTSA-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 10.63 ALOGPS logs -7.81 ALOGPS logp 14.84 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 677.0923 ChemAxon mono_mass 676.60057567 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C43H80O5 ChemAxon inchi InChI=1S/C43H80O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,41,44H,3-10,12,14-16,18,20-40H2,1-2H3/b13-11-,19-17-/t41-/m0/s1 ChemAxon inchikey CPEWURNZWJEDDC-CMFLVMKTSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 206.74 ChemAxon polarizability 88.79 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(18:0/22:2(13Z,16Z)/22:2(13Z,16Z)) SMP0074821 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) SMP0074822 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0074823 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0074824 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074825 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/24:0) SMP0074826 De Novo Triacylglycerol Biosynthesis TG(18:0/22:2(13Z,16Z)/24:1(15Z)) SMP0074827 Phosphatidylcholine Biosynthesis PC(18:0/22:2(13Z,16Z)) SMP0080582 Phosphatidylethanolamine Biosynthesis PE(18:0/22:2(13Z,16Z)) SMP0082385 Specdb::CMs 720241 Specdb::CMs 720242 Specdb::MsMs 675277 Specdb::MsMs 675278 Specdb::MsMs 675279 Specdb::MsMs 2317745 Specdb::MsMs 2317746 Specdb::MsMs 2317747 Specdb::MsMs 2530437 Specdb::MsMs 2530438 Specdb::MsMs 2530439 Specdb::MsMs 2618012 Specdb::MsMs 2618013 Specdb::MsMs 2618014 Specdb::MsMs 2677994 Specdb::MsMs 2677995 Specdb::MsMs 2677996 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 9543847 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme