1.0 2020-03-07 11:59:49 UTC 2020-04-22 18:27:04 UTC BMDB0087773 BMDB87773 TG(a-17:0/i-16:0/i-19:0)[rac] 1-anteisoheptadecanoyl-2-isohexadecanoyl-3-isononadecanoyl-glycerol TG(52:0) Tracylglycerol(a-17:0/i-16:0/i-19:0) TAG(a-17:0/i-16:0/i-19:0) Triacylglycerol TG(a-17:0/i-16:0/i-19:0)[rac] TG(a-17:0/i-16:0/i-19:0) TAG(52:0) Triglyceride Tracylglycerol(52:0) (2R)-3-[(14-Methylhexadecanoyl)oxy]-2-[(14-methylpentadecanoyl)oxy]propyl 17-methyloctadecanoic acid C55H106O6 863.447 862.798941133 (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(14-methylpentadecanoyl)oxy]propyl 17-methyloctadecanoate (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(14-methylpentadecanoyl)oxy]propyl 17-methyloctadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C InChI=1S/C55H106O6/c1-7-51(6)43-37-31-25-19-14-16-21-27-33-39-45-54(57)60-48-52(61-55(58)46-40-34-28-22-15-13-18-24-30-36-42-50(4)5)47-59-53(56)44-38-32-26-20-12-10-8-9-11-17-23-29-35-41-49(2)3/h49-52H,7-48H2,1-6H3/t51?,52-/m1/s1 SOXNYIMDNOLOAY-VMIICISDSA-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 10.32 ALOGPS logs -7.92 ALOGPS logp 20.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(14-methylpentadecanoyl)oxy]propyl 17-methyloctadecanoate ChemAxon average_mass 863.447 ChemAxon mono_mass 862.798941133 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C ChemAxon formula C55H106O6 ChemAxon inchi InChI=1S/C55H106O6/c1-7-51(6)43-37-31-25-19-14-16-21-27-33-39-45-54(57)60-48-52(61-55(58)46-40-34-28-22-15-13-18-24-30-36-42-50(4)5)47-59-53(56)44-38-32-26-20-12-10-8-9-11-17-23-29-35-41-49(2)3/h49-52H,7-48H2,1-6H3/t51?,52-/m1/s1 ChemAxon inchikey SOXNYIMDNOLOAY-VMIICISDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.54 ChemAxon polarizability 116.78 ChemAxon rotatable_bond_count 51 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::MsMs 648247 Specdb::MsMs 648248 Specdb::MsMs 648249 Specdb::MsMs 2311826 Specdb::MsMs 2311827 Specdb::MsMs 2311828 Specdb::MsMs 2356155 Specdb::MsMs 2356156 Specdb::MsMs 2356157 Specdb::MsMs 2650796 Specdb::MsMs 2650797 Specdb::MsMs 2650798 Specdb::MsMs 2946063 Specdb::MsMs 2946064 Specdb::MsMs 2946065 Specdb::MsMs 3000919 Specdb::MsMs 3000920 Specdb::MsMs 3000921 FDB078213 74870303 131814502