1.02019-08-08 05:58:28 UTC2020-02-24 19:11:02 UTCFDB043427TG(10:0/16:0/16:0)C45H86O6723.177722.642440489(2S)-1-(decanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate(2S)-1-(decanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCInChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-30-27-25-23-21-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1WBURFJXMBPWRIG-WBCKFURZSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.TriacylglycerolsOrganic compoundsLipids and lipid-like moleculesGlycerolipidsTriradylcglycerolsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesOrganic oxidesTricarboxylic acids and derivativesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriacyl-sn-glycerolTricarboxylic acid or derivativeslogp10.33logs-7.74solubility1.31e-05 g/llogp16.26pka_strongest_basic-6.6iupac(2S)-1-(decanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoateaverage_mass723.177mono_mass722.642440489smiles[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCformulaC45H86O6inchiInChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-15-12-9-6-3)51-45(48)39-36-33-30-27-25-23-21-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1inchikeyWBURFJXMBPWRIG-WBCKFURZSA-Npolar_surface_area78.9refractivity213.68polarizability96.25rotatable_bond_count44acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs183971Specdb::MsMs2337121Specdb::MsMs2337122Specdb::MsMs2337123Specdb::MsMs2691236Specdb::MsMs2691237Specdb::MsMs2691238Specdb::MsMs2788564Specdb::MsMs2788565Specdb::MsMs2788566Specdb::MsMs2980256Specdb::MsMs2980257Specdb::MsMs2980258Specdb::MsMs2990771Specdb::MsMs2990772Specdb::MsMs2990773Milk (Cow)Type 2specific