1.0 2016-09-30 23:30:34 UTC 2020-05-21 16:27:37 UTC BMDB0007099 BMDB07099 DG(16:0/16:1(9Z)/0:0) DG(16:0/16:1(9Z)/0:0), also known as diacylglycerol or DAG(16:0/16:1), belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Thus, DG(16:0/16:1(9Z)/0:0) is considered to be a diradylglycerol lipid molecule. DG(16:0/16:1(9Z)/0:0) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. DG(16:0/16:1(9Z)/0:0) exists in all living organisms, ranging from bacteria to humans. DG(16:0/16:1(9Z)/0:0) participates in a number of enzymatic reactions, within cattle. In particular, CDP-Ethanolamine and DG(16:0/16:1(9Z)/0:0) can be converted into cytidine monophosphate and PE(16:0/16:1(9Z)); which is mediated by the enzyme choline/ethanolaminephosphotransferase. In addition, CDP-Choline and DG(16:0/16:1(9Z)/0:0) can be converted into cytidine monophosphate and PC(16:0/16:1(9Z)); which is mediated by the enzyme choline/ethanolaminephosphotransferase. In cattle, DG(16:0/16:1(9Z)/0:0) is involved in the metabolic pathway called phosphatidylcholine biosynthesis PC(16:0/16:1(9Z)) pathway. 1-Hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycerol DG(16:0/16:1(9Z)/0:0)[iso2] DG(16:0/16:1/0:0) 1-Palmitoyl-2-palmitoleoyl-sn-glycerol DAG(16:0/16:1) DAG(16:0/16:1N7) DAG(16:0/16:1W7) DAG(32:1) DG(16:0/16:1) DG(16:0/16:1N7) DG(16:0/16:1W7) DG(32:1) Diacylglycerol Diacylglycerol(16:0/16:1) Diacylglycerol(16:0/16:1n7) Diacylglycerol(16:0/16:1W7) Diacylglycerol(32:1) Diglyceride DG(16:0/16:1(9Z)/0:0) C35H66O5 566.8955 566.491025222 (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (9Z)-hexadec-9-enoate diacylglycerol [H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCC InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36H,3-13,15,17-32H2,1-2H3/b16-14-/t33-/m0/s1 ADLOEVQMJKYKSR-YAIMUBSCSA-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 1,2-diacyl-sn-glycerol Diacylglycerols Solid logp 9.82 ALOGPS logs -7.46 ALOGPS logp 11.64 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (9Z)-hexadec-9-enoate ChemAxon average_mass 566.8955 ChemAxon mono_mass 566.491025222 ChemAxon smiles [H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCC ChemAxon formula C35H66O5 ChemAxon inchi InChI=1S/C35H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36H,3-13,15,17-32H2,1-2H3/b16-14-/t33-/m0/s1 ChemAxon inchikey ADLOEVQMJKYKSR-YAIMUBSCSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 168.82 ChemAxon polarizability 73.74 ChemAxon rotatable_bond_count 33 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(16:0/16:1(9Z)/16:1(9Z)) SMP0073897 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:0) SMP0073898 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(11Z)) SMP0073899 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)) SMP0073900 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)) SMP0073901 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z)) SMP0073902 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z)) SMP0073903 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) SMP0073904 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:0) SMP0073905 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:1(11Z)) SMP0073906 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:2(11Z,14Z)) SMP0073907 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:3(5Z,8Z,11Z)) SMP0073908 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:3(8Z,11Z,14Z)) SMP0073909 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0073910 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) SMP0073911 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0073912 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:0) SMP0073913 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:1(13Z)) SMP0073914 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:2(13Z,16Z)) SMP0073915 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) SMP0073916 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0073917 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0073918 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073919 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/24:0) SMP0073920 De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/24:1(15Z)) SMP0073921 Phosphatidylcholine Biosynthesis PC(16:0/16:1(9Z)) SMP0080515 Phosphatidylethanolamine Biosynthesis PE(16:0/16:1(9Z)) SMP0082318 Specdb::CMs 39230 Specdb::CMs 282159 Specdb::CMs 362733 Specdb::MsMs 619930 Specdb::MsMs 619931 Specdb::MsMs 619932 Specdb::MsMs 2319956 Specdb::MsMs 2319957 Specdb::MsMs 2319958 Specdb::MsMs 2505587 Specdb::MsMs 2505588 Specdb::MsMs 2505589 Specdb::MsMs 2618324 Specdb::MsMs 2618325 Specdb::MsMs 2618326 Specdb::MsMs 3016080 Specdb::MsMs 3016081 Specdb::MsMs 3016082 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 FDB024293 7822628 9543678 84394 C00165 DIACYLGLYCEROL 4264 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme