1.02010-04-08 22:05:39 UTC2018-05-28 22:16:47 UTCFDB003113Glycerol triheptadecanoateProbable constituent of fats.1,2,3-Propanetriyl triheptadecanoateTriheptadecanoin, 8CITrimargarinC54H104O6849.4848.783291061,3-bis(heptadecanoyloxy)propan-2-yl heptadecanoate1,3-bis(heptadecanoyloxy)propan-2-yl heptadecanoate2438-40-6CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCInChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3FBFWDBGUSMGXPI-UHFFFAOYSA-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 derivativesTriacylglycerolslogp10.64logs-7.89solubility1.11e-05 g/lmelting_pointMp 64°logp20.26pka_strongest_basic-6.6iupac1,3-bis(heptadecanoyloxy)propan-2-yl heptadecanoateaverage_mass849.4mono_mass848.78329106smilesCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCformulaC54H104O6inchiInChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3inchikeyFBFWDBGUSMGXPI-UHFFFAOYSA-Npolar_surface_area78.9refractivity255.09polarizability116.82rotatable_bond_count53acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs581440Specdb::MsMs581441Specdb::MsMs581442Specdb::MsMs2408162Specdb::MsMs2408163Specdb::MsMs2408164Specdb::MsMs2707856Specdb::MsMs2707857Specdb::MsMs2707858Specdb::MsMs3000955Specdb::MsMs3000956Specdb::MsMs3000957Specdb::MsMs3066137Specdb::MsMs3066138Specdb::MsMs3066139Specdb::MsMs3115848Specdb::MsMs3115849Specdb::MsMs3115850HMDB31106#<Reference:0x00005556759d0438>