1.0 2020-03-07 12:36:51 UTC 2020-04-22 18:30:32 UTC BMDB0088323 BMDB88323 TG(i-17:0/19:0/a-17:0)[rac] 1-isoheptadecanoyl-2-nonadecanoyl-3-anteisoheptadecanoyl-glycerol Tracylglycerol(i-17:0/19:0/a-17:0) TG(i-17:0/19:0/a-17:0)[rac] Triacylglycerol TG(i-17:0/19:0/a-17:0) Triglyceride TAG(i-17:0/19:0/a-17:0) TAG(53:0) Tracylglycerol(53:0) TG(53:0) (2S)-1-[(14-Methylhexadecanoyl)oxy]-3-[(15-methylhexadecanoyl)oxy]propan-2-yl nonadecanoic acid C56H108O6 877.474 876.814591198 (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(15-methylhexadecanoyl)oxy]propan-2-yl nonadecanoate (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(15-methylhexadecanoyl)oxy]propan-2-yl nonadecanoate [H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C56H108O6/c1-6-8-9-10-11-12-13-14-15-16-17-20-28-33-38-43-48-56(59)62-53(49-60-54(57)46-41-36-31-26-21-18-19-24-29-34-39-44-51(3)4)50-61-55(58)47-42-37-32-27-23-22-25-30-35-40-45-52(5)7-2/h51-53H,6-50H2,1-5H3/t52?,53-/m0/s1 WBXNPHWZTVIRLV-FMZUJJTGSA-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 10.52 ALOGPS logs -7.92 ALOGPS logp 20.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(15-methylhexadecanoyl)oxy]propan-2-yl nonadecanoate ChemAxon average_mass 877.474 ChemAxon mono_mass 876.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C56H108O6 ChemAxon inchi InChI=1S/C56H108O6/c1-6-8-9-10-11-12-13-14-15-16-17-20-28-33-38-43-48-56(59)62-53(49-60-54(57)46-41-36-31-26-21-18-19-24-29-34-39-44-51(3)4)50-61-55(58)47-42-37-32-27-23-22-25-30-35-40-45-52(5)7-2/h51-53H,6-50H2,1-5H3/t52?,53-/m0/s1 ChemAxon inchikey WBXNPHWZTVIRLV-FMZUJJTGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.19 ChemAxon polarizability 119.13 ChemAxon rotatable_bond_count 53 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 675949 Specdb::MsMs 675950 Specdb::MsMs 675951 Specdb::MsMs 2362730 Specdb::MsMs 2362731 Specdb::MsMs 2362732 Specdb::MsMs 2688470 Specdb::MsMs 2688471 Specdb::MsMs 2688472 Specdb::MsMs 2975819 Specdb::MsMs 2975820 Specdb::MsMs 2975821 Specdb::MsMs 2993117 Specdb::MsMs 2993118 Specdb::MsMs 2993119 Specdb::MsMs 3007382 Specdb::MsMs 3007383 Specdb::MsMs 3007384 FDB078763 74870849 131815052