1.02019-08-08 07:10:07 UTC2020-02-24 19:11:02 UTCFDB044336TG(10:0/14:0/14:0)C41H78O6667.069666.579840232(2S)-1-(decanoyloxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoate(2S)-1-(decanoyloxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoate[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCInChI=1S/C41H78O6/c1-4-7-10-13-16-18-20-22-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-24-15-12-9-6-3)47-41(44)35-32-29-26-23-21-19-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1OECYYRPLQTZAGN-LHEWISCISA-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 derivativeslogp9.98logs-7.74solubility1.22e-05 g/llogp14.48pka_strongest_basic-6.6iupac(2S)-1-(decanoyloxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoateaverage_mass667.069mono_mass666.579840232smiles[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCformulaC41H78O6inchiInChI=1S/C41H78O6/c1-4-7-10-13-16-18-20-22-25-28-31-34-40(43)46-37-38(36-45-39(42)33-30-27-24-15-12-9-6-3)47-41(44)35-32-29-26-23-21-19-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m0/s1inchikeyOECYYRPLQTZAGN-LHEWISCISA-Npolar_surface_area78.9refractivity195.28polarizability87.8rotatable_bond_count40acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs634168Specdb::MsMs634169Specdb::MsMs634170Specdb::MsMs2428591Specdb::MsMs2428592Specdb::MsMs2428593Specdb::MsMs2437753Specdb::MsMs2437754Specdb::MsMs2437755Specdb::MsMs2672588Specdb::MsMs2672589Specdb::MsMs2672590Specdb::MsMs2865381Specdb::MsMs2865382Specdb::MsMs2865383Specdb::MsMs3032276Specdb::MsMs3032277Specdb::MsMs3032278Milk (Cow)Type 2specific