1.02019-08-10 00:36:58 UTC2020-02-24 19:11:03 UTCFDB067062TG(12:0/14:0/16:0)C45H86O6723.177722.642440489(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoate[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCInChI=1S/C45H86O6/c1-4-7-10-13-16-19-21-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-25-18-15-12-9-6-3)51-45(48)39-36-33-30-27-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1PGZSAELMQZLYOA-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 derivativeslogp10.32logs-7.74solubility1.32e-05 g/llogp16.26pka_strongest_basic-6.6iupac(2S)-3-(dodecanoyloxy)-2-(tetradecanoyloxy)propyl hexadecanoateaverage_mass723.177mono_mass722.642440489smiles[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCformulaC45H86O6inchiInChI=1S/C45H86O6/c1-4-7-10-13-16-19-21-22-24-26-29-32-35-38-44(47)50-41-42(40-49-43(46)37-34-31-28-25-18-15-12-9-6-3)51-45(48)39-36-33-30-27-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1inchikeyPGZSAELMQZLYOA-WBCKFURZSA-Npolar_surface_area78.9refractivity213.68polarizability96.31rotatable_bond_count44acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::NmrOneD280298Specdb::NmrOneD280299Specdb::NmrOneD280300Specdb::NmrOneD280301Specdb::NmrOneD280302Specdb::NmrOneD280303Specdb::NmrOneD280304Specdb::NmrOneD280305Specdb::NmrOneD280306Specdb::NmrOneD280307Specdb::NmrOneD280308Specdb::NmrOneD280309Specdb::NmrOneD280310Specdb::NmrOneD280311Specdb::NmrOneD280312Specdb::NmrOneD280313Specdb::NmrOneD280314Specdb::NmrOneD280315Specdb::NmrOneD280316Specdb::NmrOneD280317Specdb::MsMs665002Specdb::MsMs665003Specdb::MsMs665004Specdb::MsMs2278664Specdb::MsMs2278665Specdb::MsMs2278666Specdb::MsMs2688362Specdb::MsMs2688363Specdb::MsMs2688364Specdb::MsMs2751772Specdb::MsMs2751773Specdb::MsMs2751774Specdb::MsMs2930715Specdb::MsMs2930716Specdb::MsMs2930717Specdb::MsMs3024402Specdb::MsMs3024403Specdb::MsMs3024404Milk (Cow)Type 2specific