1.0 2016-09-30 23:29:17 UTC 2020-05-21 16:27:25 UTC BMDB0007039 BMDB07039 DG(14:1(9Z)/15:0/0:0) Diacylglycerol(29:1) DG(29:1) DG(14:1(9Z)/15:0/0:0) Diglyceride DAG(14:1/15:0) DAG(29:1) Diacylglycerol DG(14:1/15:0) Diacylglycerol(14:1/15:0) 1-(9Z-tetradecenoyl)-2-pentadecanoyl-sn-glycerol 1-myristoleoyl-2-pentadecanoyl-sn-glycerol C32H60O5 524.8158 524.44407503 (2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl pentadecanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1 XRIOEAXABJXXOB-CCZSOTCQSA-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 9.25 ALOGPS logs -7.26 ALOGPS logp 10.31 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl pentadecanoate ChemAxon average_mass 524.8158 ChemAxon mono_mass 524.44407503 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C32H60O5 ChemAxon inchi InChI=1S/C32H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,30,33H,3-9,11,13-29H2,1-2H3/b12-10-/t30-/m0/s1 ChemAxon inchikey XRIOEAXABJXXOB-CCZSOTCQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 155.01 ChemAxon polarizability 67.58 ChemAxon rotatable_bond_count 30 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(14:1(9Z)/15:0/15:0) SMP0073115 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/16:0) SMP0073116 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/16:1(9Z)) SMP0073117 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:0) SMP0073118 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:1(11Z)) SMP0073119 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:1(9Z)) SMP0073120 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:2(9Z,12Z)) SMP0073121 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:3(6Z,9Z,12Z)) SMP0073122 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:3(9Z,12Z,15Z)) SMP0073123 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z)) SMP0073124 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:0) SMP0073125 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:1(11Z)) SMP0073126 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:2(11Z,14Z)) SMP0073127 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:3(5Z,8Z,11Z)) SMP0073128 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:3(8Z,11Z,14Z)) SMP0073129 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) SMP0073130 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z)) SMP0073131 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0073132 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:0) SMP0073133 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:1(13Z)) SMP0073134 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:2(13Z,16Z)) SMP0073135 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z)) SMP0073136 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0073137 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0073138 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073139 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/24:0) SMP0073140 De Novo Triacylglycerol Biosynthesis TG(14:1(9Z)/15:0/24:1(15Z)) SMP0073141 Phosphatidylcholine Biosynthesis PC(14:1(9Z)/15:0) SMP0080460 Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/15:0) SMP0082263 Specdb::CMs 39180 Specdb::MsMs 628705 Specdb::MsMs 628706 Specdb::MsMs 628707 Specdb::MsMs 2276310 Specdb::MsMs 2276311 Specdb::MsMs 2276312 Specdb::MsMs 2430856 Specdb::MsMs 2430857 Specdb::MsMs 2430858 Specdb::MsMs 2664121 Specdb::MsMs 2664122 Specdb::MsMs 2664123 Specdb::MsMs 3092176 Specdb::MsMs 3092177 Specdb::MsMs 3092178 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 24765873 53477974 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme