1.0 2016-09-30 23:29:55 UTC 2020-05-21 16:27:30 UTC BMDB0007071 BMDB07071 DG(15:0/18:0/0:0) DG(15:0/18:0/0:0) Diacylglycerol(15:0/18:0) Diacylglycerol(33:0) Diglyceride DG(15:0/18:0) 1-pentadecanoyl-2-stearoyl-sn-glycerol Diacylglycerol DAG(15:0/18:0) DAG(33:0) 1-pentadecanoyl-2-octadecanoyl-sn-glycerol DG(33:0) C36H70O5 582.938 582.52232535 (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl octadecanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1 LEZKFBVFTOZLID-UMSFTDKQSA-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 10.04 ALOGPS logs -7.49 ALOGPS logp 12.45 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 582.938 ChemAxon mono_mass 582.52232535 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C36H70O5 ChemAxon inchi InChI=1S/C36H70O5/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34,37H,3-33H2,1-2H3/t34-/m0/s1 ChemAxon inchikey LEZKFBVFTOZLID-UMSFTDKQSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 172.3 ChemAxon polarizability 77.56 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(15:0/18:0/18:0) SMP0073571 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:1(11Z)) SMP0073572 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:1(9Z)) SMP0073573 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:2(9Z,12Z)) SMP0073574 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:3(6Z,9Z,12Z)) SMP0073575 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:3(9Z,12Z,15Z)) SMP0073576 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/18:4(6Z,9Z,12Z,15Z)) SMP0073577 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:0) SMP0073578 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:1(11Z)) SMP0073579 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:2(11Z,14Z)) SMP0073580 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:3(5Z,8Z,11Z)) SMP0073581 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:3(8Z,11Z,14Z)) SMP0073582 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z)) SMP0073583 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:4(8Z,11Z,14Z,17Z)) SMP0073584 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0073585 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:0) SMP0073586 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:1(13Z)) SMP0073587 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:2(13Z,16Z)) SMP0073588 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:4(7Z,10Z,13Z,16Z)) SMP0073589 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0073590 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0073591 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073592 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/24:0) SMP0073593 De Novo Triacylglycerol Biosynthesis TG(15:0/18:0/24:1(15Z)) SMP0073594 Phosphatidylcholine Biosynthesis PC(15:0/18:0) SMP0080490 Phosphatidylethanolamine Biosynthesis PE(15:0/18:0) SMP0082293 Specdb::CMs 39210 Specdb::CMs 282603 Specdb::CMs 404961 Specdb::MsMs 661081 Specdb::MsMs 661082 Specdb::MsMs 661083 Specdb::MsMs 2758245 Specdb::MsMs 2758246 Specdb::MsMs 2758247 Specdb::MsMs 2778116 Specdb::MsMs 2778117 Specdb::MsMs 2778118 Specdb::MsMs 2903439 Specdb::MsMs 2903440 Specdb::MsMs 2903441 Specdb::MsMs 3007124 Specdb::MsMs 3007125 Specdb::MsMs 3007126 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 24765904 14275365 FDB024265 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme