1.0 2016-09-30 23:29:57 UTC 2020-05-21 16:27:31 UTC BMDB0007073 BMDB07073 DG(15:0/18:1(9Z)/0:0) DG(15:0/18:1(9Z)/0:0) Diglyceride DAG(15:0/18:1) DG(33:1) Diacylglycerol(15:0/18:1) DG(15:0/18:1) 1-pentadecanoyl-2-oleoyl-sn-glycerol Diacylglycerol DAG(33:1) 1-pentadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol Diacylglycerol(33:1) DAG(15:0/18:1N9) DAG(15:0/18:1W9) DG(15:0/18:1N9) DG(15:0/18:1W9) Diacylglycerol(15:0/18:1n9) Diacylglycerol(15:0/18:1W9) C36H68O5 580.9221 580.506675286 (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C36H68O5/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/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-/t34-/m0/s1 GWAPRYUVSHVZHN-PDGPHRJUSA-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 9.97 ALOGPS logs -7.50 ALOGPS logp 12.09 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate ChemAxon average_mass 580.9221 ChemAxon mono_mass 580.506675286 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C36H68O5 ChemAxon inchi InChI=1S/C36H68O5/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/h17-18,34,37H,3-16,19-33H2,1-2H3/b18-17-/t34-/m0/s1 ChemAxon inchikey GWAPRYUVSHVZHN-PDGPHRJUSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 173.42 ChemAxon polarizability 76.07 ChemAxon rotatable_bond_count 34 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(15:0/18:1(9Z)/18:1(9Z)) SMP0073618 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/18:2(9Z,12Z)) SMP0073619 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/18:3(6Z,9Z,12Z)) SMP0073620 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z)) SMP0073621 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) SMP0073622 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:0) SMP0073623 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:1(11Z)) SMP0073624 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:2(11Z,14Z)) SMP0073625 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:3(5Z,8Z,11Z)) SMP0073626 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:3(8Z,11Z,14Z)) SMP0073627 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0073628 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) SMP0073629 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) SMP0073630 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:0) SMP0073631 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:1(13Z)) SMP0073632 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:2(13Z,16Z)) SMP0073633 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) SMP0073634 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0073635 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0073636 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0073637 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/24:0) SMP0073638 De Novo Triacylglycerol Biosynthesis TG(15:0/18:1(9Z)/24:1(15Z)) SMP0073639 Phosphatidylcholine Biosynthesis PC(15:0/18:1(9Z)) SMP0080492 Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)) SMP0082295 Specdb::CMs 39212 Specdb::CMs 282565 Specdb::CMs 398582 Specdb::MsMs 665641 Specdb::MsMs 665642 Specdb::MsMs 665643 Specdb::MsMs 2400501 Specdb::MsMs 2400502 Specdb::MsMs 2400503 Specdb::MsMs 2484537 Specdb::MsMs 2484538 Specdb::MsMs 2484539 Specdb::MsMs 2712986 Specdb::MsMs 2712987 Specdb::MsMs 2712988 Specdb::MsMs 2965842 Specdb::MsMs 2965843 Specdb::MsMs 2965844 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 24765906 14275367 FDB024267 BMDBP00391 Ethanolaminephosphotransferase 1 Q17QM4 SELENOI Enzyme BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme