1.0 2016-09-30 23:31:31 UTC 2020-05-21 16:27:45 UTC BMDB0007147 BMDB07147 DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 1-Palmitoleoyl-2-adrenoyl-sn-glycerol DAG(16:1/22:4) DAG(16:1N7/22:4N6) DAG(16:1W7/22:4W6) DAG(38:5) DG(16:1/22:4) DG(16:1N7/22:4N6) DG(16:1W7/22:4W6) DG(38:5) Diacylglycerol Diacylglycerol(16:1/22:4) Diacylglycerol(16:1n7/22:4n6) Diacylglycerol(16:1W7/22:4W6) Diacylglycerol(38:5) Diglyceride 1-(9Z-Hexadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0) C41H70O5 642.9915 642.52232535 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C41H70O5/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/h11,13-14,16-18,20-21,24,26,39,42H,3-10,12,15,19,22-23,25,27-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,26-24-/t39-/m0/s1 IEGKTGQMTJQYNI-BBXHSGSRSA-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 9.76 ALOGPS logs -7.70 ALOGPS logp 12.86 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 642.9915 ChemAxon mono_mass 642.52232535 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C41H70O5 ChemAxon inchi InChI=1S/C41H70O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,20-21,24,26,39,42H,3-10,12,15,19,22-23,25,27-38H2,1-2H3/b13-11-,16-14-,18-17-,21-20-,26-24-/t39-/m0/s1 ChemAxon inchikey IEGKTGQMTJQYNI-BBXHSGSRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 200.89 ChemAxon polarizability 81.07 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(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) SMP0074526 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0074527 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0074528 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0074529 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:0) SMP0074530 De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) SMP0074531 Phosphatidylcholine Biosynthesis PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) SMP0080559 Phosphatidylethanolamine Biosynthesis PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) SMP0082362 Specdb::CMs 10694 Specdb::CMs 624858 Specdb::CMs 624859 Specdb::CMs 793590 Specdb::MsMs 289567 Specdb::MsMs 289568 Specdb::MsMs 289569 Specdb::MsMs 329014 Specdb::MsMs 329015 Specdb::MsMs 329016 Specdb::MsMs 2382533 Specdb::MsMs 2382534 Specdb::MsMs 2382535 Specdb::MsMs 2580225 Specdb::MsMs 2580226 Specdb::MsMs 2580227 Specdb::MsMs 3109959 Specdb::MsMs 3109960 Specdb::MsMs 3109961 Specdb::MsMs 3119176 Specdb::MsMs 3119177 Specdb::MsMs 3119178 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 7822764 9543814 88481 FDB024341 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme