1.0 2016-09-30 23:32:31 UTC 2020-05-21 16:27:49 UTC BMDB0007197 BMDB07197 DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0) DG(18:1/20:3) DG(38:4) Diglyceride DAG(18:1/20:3) DAG(38:4) Diacylglycerol Diacylglycerol(18:1/20:3) Diacylglycerol(38:4) 1-(11Z-Octadecenoyl)-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol 1-Vaccenoyl-2-meadoyl-sn-glycerol (2S)-1-Hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (5Z,8Z,11Z)-docosa-5,8,11-trienoic acid DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0) C43H76O5 673.0605 672.569275542 (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (5Z,8Z,11Z)-docosa-5,8,11-trienoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCCCC InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,20-21,24,26,30,32,41,44H,3-13,15,17-19,22-23,25,27-29,31,33-40H2,1-2H3/b16-14-,21-20-,26-24-,32-30-/t41-/m0/s1 YTSWOEQCQXAQDH-LCQCWRIZSA-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 Solid logp 10.41 ALOGPS logs -7.79 ALOGPS logp 14.11 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (5Z,8Z,11Z)-docosa-5,8,11-trienoate ChemAxon average_mass 673.0605 ChemAxon mono_mass 672.569275542 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCCCC ChemAxon formula C43H76O5 ChemAxon inchi InChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,20-21,24,26,30,32,41,44H,3-13,15,17-19,22-23,25,27-29,31,33-40H2,1-2H3/b16-14-,21-20-,26-24-,32-30-/t41-/m0/s1 ChemAxon inchikey YTSWOEQCQXAQDH-LCQCWRIZSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 208.97 ChemAxon polarizability 87.37 ChemAxon rotatable_bond_count 38 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 Specdb::CMs 13221 Specdb::CMs 704321 Specdb::CMs 704322 Specdb::MsMs 295054 Specdb::MsMs 295055 Specdb::MsMs 295056 Specdb::MsMs 335974 Specdb::MsMs 335975 Specdb::MsMs 335976 Specdb::MsMs 2831554 Specdb::MsMs 2831555 Specdb::MsMs 2831556 Specdb::MsMs 2847473 Specdb::MsMs 2847474 Specdb::MsMs 2847475 Specdb::MsMs 2870984 Specdb::MsMs 2870985 Specdb::MsMs 2870986 Specdb::MsMs 3056288 Specdb::MsMs 3056289 Specdb::MsMs 3056290 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 53478072 88401 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme