1.02020-04-03 16:40:44 UTC2020-04-03 16:40:46 UTCFDB098175TG(4:0/16:0/16:0)C39H74O6639.015638.548540103(2S)-1-(butanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate(2S)-1-(butanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCInChI=1S/C39H74O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-32-38(41)44-35-36(34-43-37(40)31-6-3)45-39(42)33-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3/t36-/m0/s1SPNPZKFZBBJGJK-BHVANESWSA-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-7.72solubility1.22e-05 g/llogp13.59pka_strongest_basic-6.6iupac(2S)-1-(butanoyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoateaverage_mass639.015mono_mass638.548540103smiles[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCformulaC39H74O6inchiInChI=1S/C39H74O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-32-38(41)44-35-36(34-43-37(40)31-6-3)45-39(42)33-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h36H,4-35H2,1-3H3/t36-/m0/s1inchikeySPNPZKFZBBJGJK-BHVANESWSA-Npolar_surface_area78.9refractivity186.08polarizability83.35rotatable_bond_count38acceptor_count3donor_count0physiological_charge0formal_charge0Milk (Cow)Type 2specific