1.0 2016-09-30 23:31:46 UTC 2020-05-21 16:27:45 UTC BMDB0007160 BMDB07160 DG(18:0/18:1(9Z)/0:0) DG(18:0/18:1(9Z)/0:0)[iso2], also known as dg(18:0/18:1(9z)/0:0)[iso2] or DAG(18:0/18:1), belongs to the class of organic compounds known as 1,2-dg(18:0/18:1(9z)/0:0)[iso2]s. These are dg(18:0/18:1(9z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:0/18:1(9Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:0/18:1(9Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. DG(18:0/18:1(9Z)/0:0)[iso2] exists in all living organisms, ranging from bacteria to humans. In cattle, DG(18:0/18:1(9Z)/0:0)[iso2] is involved in a couple of metabolic pathways, which include de novo triacylglycerol biosynthesis TG(18:0/18:1(9Z)/18:1(9Z)) pathway and de novo triacylglycerol biosynthesis TG(18:0/18:1(9Z)/20:0) pathway. 1-Octadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol DG (18:0/18:1(N-9)/0:0) sn-SODG DAG(36:1) Diacylglycerol(36:1) DAG(18:0/18:1) Diglyceride Diacylglycerol(18:0/18:1) DG(18:0/18:1(9Z)/0:0) Diacylglycerol 1-stearoyl-2-oleoyl-sn-glycerol DG(18:0/18:1) DG(36:1) C39H74O5 623.0019 622.553625478 (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate α-oleo-β-stearin 53702-48-0 [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-/t37-/m0/s1 SAEPUUXWQQNLGN-LVVMQYBKSA-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 1-stearoyl-2-oleoylglycerol Diacylglycerols diacylglycerol 36:1 Solid logp 10.35 ALOGPS logs -7.58 ALOGPS logp 13.42 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate ChemAxon average_mass 623.0019 ChemAxon mono_mass 622.553625478 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C39H74O5 ChemAxon inchi InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37,40H,3-17,19,21-36H2,1-2H3/b20-18-/t37-/m0/s1 ChemAxon inchikey SAEPUUXWQQNLGN-LVVMQYBKSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 187.22 ChemAxon polarizability 82.06 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(18:0/18:1(9Z)/18:1(9Z)) SMP0074594 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)) SMP0074595 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:3(6Z,9Z,12Z)) SMP0074596 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z)) SMP0074597 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) SMP0074598 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:0) SMP0074599 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)) SMP0074600 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:2(11Z,14Z)) SMP0074601 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:3(5Z,8Z,11Z)) SMP0074602 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:3(8Z,11Z,14Z)) SMP0074603 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0074604 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) SMP0074605 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0074606 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:0) SMP0074607 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:1(13Z)) SMP0074608 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:2(13Z,16Z)) SMP0074609 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) SMP0074610 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0074611 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0074612 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074613 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/24:0) SMP0074614 De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/24:1(15Z)) SMP0074615 Phosphatidylcholine Biosynthesis PC(18:0/18:1(9Z)) SMP0080567 Phosphatidylethanolamine Biosynthesis PE(18:0/18:1(9Z)) SMP0082370 Specdb::CMs 39273 Specdb::CMs 547501 Specdb::CMs 792867 Specdb::MsMs 627253 Specdb::MsMs 627254 Specdb::MsMs 627255 Specdb::MsMs 2569025 Specdb::MsMs 2569026 Specdb::MsMs 2569027 Specdb::MsMs 2692427 Specdb::MsMs 2692428 Specdb::MsMs 2692429 Specdb::MsMs 2737118 Specdb::MsMs 2737119 Specdb::MsMs 2737120 Specdb::MsMs 2968212 Specdb::MsMs 2968213 Specdb::MsMs 2968214 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 4947530 6443547 FDB024354 75468 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme