1.02019-08-10 00:41:36 UTC2020-02-24 19:11:03 UTCFDB067098TG(12:0/14:0/20:0)C49H94O6779.285778.705040747(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl icosanoate(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl icosanoate[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCInChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1FNKDFKYDCKFOPA-DXQCBLCSSA-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 derivativeslogp10.54logs-7.80solubility1.23e-05 g/llogp18.04pka_strongest_basic-6.6iupac(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl icosanoateaverage_mass779.285mono_mass778.705040747smiles[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCformulaC49H94O6inchiInChI=1S/C49H94O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3/t46-/m0/s1inchikeyFNKDFKYDCKFOPA-DXQCBLCSSA-Npolar_surface_area78.9refractivity232.09polarizability104.94rotatable_bond_count48acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs615436Specdb::MsMs615437Specdb::MsMs615438Specdb::MsMs2397336Specdb::MsMs2397337Specdb::MsMs2397338Specdb::MsMs2524935Specdb::MsMs2524936Specdb::MsMs2524937Specdb::MsMs2541008Specdb::MsMs2541009Specdb::MsMs2541010Specdb::MsMs2806049Specdb::MsMs2806050Specdb::MsMs2806051Specdb::MsMs2846777Specdb::MsMs2846778Specdb::MsMs2846779Milk (Cow)Type 2specific