1.0 2020-03-06 05:34:44 UTC 2020-04-22 17:21:10 UTC BMDB0077340 BMDB77340 TG(i-12:0/19:0/14:0) 1-isododecanoyl-2-nonadecanoyl-3-tetradecanoyl-glycerol Tracylglycerol(45:0) TG(45:0) Triacylglycerol Triglyceride TG(i-12:0/19:0/14:0) TAG(45:0) TAG(i-12:0/19:0/14:0) 1-isododecanoyl-2-nonadecanoyl-3-myristoyl-glycerol Tracylglycerol(i-12:0/19:0/14:0) (2R)-1-[(10-Methylundecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoic acid C48H92O6 765.258 764.689390682 (2R)-1-[(10-methylundecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate (2R)-1-[(10-methylundecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C48H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-33-37-41-48(51)54-45(43-53-47(50)40-36-32-29-28-30-34-38-44(3)4)42-52-46(49)39-35-31-26-24-22-16-14-12-10-8-6-2/h44-45H,5-43H2,1-4H3/t45-/m1/s1 XCFYZYQHRFDFPZ-WBVITSLISA-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. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.33 ALOGPS logs -7.80 ALOGPS logp 17.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(10-methylundecanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl nonadecanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-33-37-41-48(51)54-45(43-53-47(50)40-36-32-29-28-30-34-38-44(3)4)42-52-46(49)39-35-31-26-24-22-16-14-12-10-8-6-2/h44-45H,5-43H2,1-4H3/t45-/m1/s1 ChemAxon inchikey XCFYZYQHRFDFPZ-WBVITSLISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.43 ChemAxon polarizability 102.52 ChemAxon rotatable_bond_count 46 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 199998 Specdb::MsMs 584518 Specdb::MsMs 584519 Specdb::MsMs 584520 Specdb::MsMs 2393059 Specdb::MsMs 2393060 Specdb::MsMs 2393061 Specdb::MsMs 2466566 Specdb::MsMs 2466567 Specdb::MsMs 2466568 Specdb::MsMs 2710112 Specdb::MsMs 2710113 Specdb::MsMs 2710114 Specdb::MsMs 2888029 Specdb::MsMs 2888030 Specdb::MsMs 2888031 Specdb::MsMs 2996141 Specdb::MsMs 2996142 Specdb::MsMs 2996143 FDB067736 74859933 131804122