1.0 2016-09-30 23:44:35 UTC 2020-05-11 18:37:03 UTC BMDB0007796 BMDB07796 DG(24:0/18:0/0:0) 1-Lignoceroyl-2-stearoyl-sn-glycerol DAG(24:0/18:0) DAG(42:0) DG(24:0/18:0) DG(42:0) Diacylglycerol Diacylglycerol(24:0/18:0) Diacylglycerol(42:0) Diglyceride 1-Tetracosanoyl-2-octadecanoyl-sn-glycerol DG(24:0/18:0/0:0) C45H88O5 709.1772 708.663175926 (2S)-3-hydroxy-2-(octadecanoyloxy)propyl tetracosanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1 REOXEWXOGNBTEW-QLKFWGTOSA-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 10.72 ALOGPS logs -7.73 ALOGPS logp 16.45 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-hydroxy-2-(octadecanoyloxy)propyl tetracosanoate ChemAxon average_mass 709.1772 ChemAxon mono_mass 708.663175926 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C45H88O5 ChemAxon inchi InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(47)49-42-43(41-46)50-45(48)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1 ChemAxon inchikey REOXEWXOGNBTEW-QLKFWGTOSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 213.71 ChemAxon polarizability 96.86 ChemAxon rotatable_bond_count 44 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 754177 Specdb::CMs 754178 Specdb::MsMs 573517 Specdb::MsMs 573518 Specdb::MsMs 573519 Specdb::MsMs 2442643 Specdb::MsMs 2442644 Specdb::MsMs 2442645 Specdb::MsMs 2519250 Specdb::MsMs 2519251 Specdb::MsMs 2519252 Specdb::MsMs 2696508 Specdb::MsMs 2696509 Specdb::MsMs 2696510 Specdb::MsMs 2860636 Specdb::MsMs 2860637 Specdb::MsMs 2860638 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 24766454 FDB024989 53478546