1.0 2016-09-30 23:31:30 UTC 2020-05-21 16:27:45 UTC BMDB0007146 BMDB07146 DG(16:1(9Z)/22:2(13Z,16Z)/0:0) DG(16:1(9Z)/22:2(13Z,16Z)/0:0)[iso2], also known as DG(16:1/22:2) or dg(16:1(9z)/22:2(13z,16z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(16:1(9z)/22:2(13z,16z)/0:0)[iso2]s. These are dg(16:1(9z)/22:2(13z,16z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(16:1(9Z)/22:2(13Z,16Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(16:1(9Z)/22:2(13Z,16Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(16:1(9Z)/22:2(13Z,16Z)/0:0)[iso2] is involved in a couple of metabolic pathways, which include de novo triacylglycerol biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z)) pathway and phosphatidylethanolamine biosynthesis pe(16:1(9Z)/22:2(13Z,16Z)) pathway. DG(16:1/22:2) Diacylglycerol(38:3) Diglyceride Diacylglycerol(16:1/22:2) DG(38:3) DAG(16:1/22:2) Diacylglycerol 1-Palmitoleoyl-2-docosadienoyl-sn-glycerol 1-(9Z-Hexadecenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycerol DAG(38:3) DG(16:1(9Z)/22:2(13Z,16Z)/0:0) C41H74O5 647.0233 646.553625478 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (13Z,16Z)-docosa-13,16-dienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42H,3-10,12,15,19-38H2,1-2H3/b13-11-,16-14-,18-17-/t39-/m0/s1 GPTNTTOKYPVRNK-VWMWQVQRSA-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 10.33 ALOGPS logs -7.81 ALOGPS logp 13.58 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 647.0233 ChemAxon mono_mass 646.553625478 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C41H74O5 ChemAxon inchi InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,39,42H,3-10,12,15,19-38H2,1-2H3/b13-11-,16-14-,18-17-/t39-/m0/s1 ChemAxon inchikey GPTNTTOKYPVRNK-VWMWQVQRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 198.65 ChemAxon polarizability 83.54 ChemAxon rotatable_bond_count 37 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(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z)) SMP0074519 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) SMP0074520 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0074521 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0074522 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074523 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/24:0) SMP0074524 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:2(13Z,16Z)/24:1(15Z)) SMP0074525 Phosphatidylcholine Biosynthesis PC(16:1(9Z)/22:2(13Z,16Z)) SMP0080558 Phosphatidylethanolamine Biosynthesis PE(16:1(9Z)/22:2(13Z,16Z)) SMP0082361 Specdb::CMs 636822 Specdb::CMs 636823 Specdb::CMs 793718 Specdb::MsMs 566596 Specdb::MsMs 566597 Specdb::MsMs 566598 Specdb::MsMs 2462569 Specdb::MsMs 2462570 Specdb::MsMs 2462571 Specdb::MsMs 2792117 Specdb::MsMs 2792118 Specdb::MsMs 2792119 Specdb::MsMs 3046162 Specdb::MsMs 3046163 Specdb::MsMs 3046164 Specdb::MsMs 3094036 Specdb::MsMs 3094037 Specdb::MsMs 3094038 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 9543802 88482 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme