1.0 2016-09-30 23:33:08 UTC 2020-05-21 16:27:52 UTC BMDB0007228 BMDB07228 DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2], also known as DG(18:1/20:4) or dg(18:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2], belongs to the class of organic compounds known as 1,2-dg(18:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2]s. These are dg(18:1(9z)/20:4(5z,8z,11z,14z)/0:0)[iso2]s containing a glycerol acylated at positions 1 and 2. Thus, DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is considered to be a diradylglycerol lipid molecule. DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] is involved in the metabolic pathway called phosphatidylcholine biosynthesis PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) pathway. 1-(9Z)-Octadecenoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycerol 1-(9Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol DG (18:1(N-9)/20:4(N-6)/0:0) DG(18:1/20:4) 1-Oleoyl-2-arachidonoyl-sn-glycerol DG(38:5) DAG(38:5) DAG(18:1/20:4) Diacylglycerol(38:5) Diacylglycerol Diacylglycerol(18:1/20:4) Diglyceride DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0) C41H70O5 642.9915 642.52232535 (2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1 LWXLWRXRJKMNLM-GOZUYJTOSA-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 9.83 ALOGPS logs -7.71 ALOGPS logp 12.86 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 642.9915 ChemAxon mono_mass 642.52232535 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C41H70O5 ChemAxon inchi InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,28,30,39,42H,3-10,12,14-16,20,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,21-18-,24-22-,30-28-/t39-/m0/s1 ChemAxon inchikey LWXLWRXRJKMNLM-GOZUYJTOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 200.89 ChemAxon polarizability 81.04 ChemAxon rotatable_bond_count 35 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(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0075302 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) SMP0075303 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0075304 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:0) SMP0075305 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) SMP0075306 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) SMP0075307 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) SMP0075308 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0075309 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0075310 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0075311 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:0) SMP0075312 De Novo Triacylglycerol Biosynthesis TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) SMP0075313 Phosphatidylcholine Biosynthesis PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0080622 Phosphatidylethanolamine Biosynthesis PE(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0082426 Specdb::CMs 15914 Specdb::CMs 624866 Specdb::CMs 624867 Specdb::CMs 793594 Specdb::MsMs 301240 Specdb::MsMs 301241 Specdb::MsMs 301242 Specdb::MsMs 343717 Specdb::MsMs 343718 Specdb::MsMs 343719 Specdb::MsMs 2860615 Specdb::MsMs 2860616 Specdb::MsMs 2860617 Specdb::MsMs 3049358 Specdb::MsMs 3049359 Specdb::MsMs 3049360 Specdb::MsMs 3095020 Specdb::MsMs 3095021 Specdb::MsMs 3095022 Specdb::MsMs 3117278 Specdb::MsMs 3117279 Specdb::MsMs 3117280 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 9543786 75449 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme