1.0 2020-03-04 19:21:47 UTC 2020-05-21 16:29:20 UTC BMDB0067555 BMDB67555 TG(i-19:0/i-22:0/17:0) 1-Isononadecanoyl-2-isodocosanoyl-3-margaroyl-glycerol TG(58:0) Tag(i-19:0/i-22:0/17:0) Tag(58:0) Triacylglycerol(i-19:0/i-22:0/17:0) Triacylglycerol(58:0) Triacylglycerol Triglyceride Tracylglycerol(i-19:0/i-22:0/17:0) Tracylglycerol(58:0) 1-Isononadecanoyl-2-isodocosanoyl-3-heptadecanoyl-glycerol TG(i-19:0/i-22:0/17:0) C61H118O6 947.609 946.89284152 (2R)-1-(heptadecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate (2R)-1-(heptadecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-21-26-31-36-41-46-51-59(62)65-54-58(55-66-60(63)52-47-42-37-32-27-23-18-20-25-30-35-40-45-50-57(4)5)67-61(64)53-48-43-38-33-28-22-17-15-14-16-19-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m1/s1 CZFWCCLNNFYTKG-QPUWJJAWSA-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 10.46 ALOGPS logs -7.93 ALOGPS logp 23.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(heptadecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 20-methylhenicosanoate ChemAxon average_mass 947.609 ChemAxon mono_mass 946.89284152 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C61H118O6 ChemAxon inchi InChI=1S/C61H118O6/c1-6-7-8-9-10-11-12-13-21-26-31-36-41-46-51-59(62)65-54-58(55-66-60(63)52-47-42-37-32-27-23-18-20-25-30-35-40-45-50-57(4)5)67-61(64)53-48-43-38-33-28-22-17-15-14-16-19-24-29-34-39-44-49-56(2)3/h56-58H,6-55H2,1-5H3/t58-/m1/s1 ChemAxon inchikey CZFWCCLNNFYTKG-QPUWJJAWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.2 ChemAxon polarizability 130.07 ChemAxon rotatable_bond_count 58 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 607972 Specdb::MsMs 607973 Specdb::MsMs 607974 Specdb::MsMs 939763 Specdb::MsMs 939764 Specdb::MsMs 939765 Specdb::MsMs 2373912 Specdb::MsMs 2373913 Specdb::MsMs 2373914 Specdb::MsMs 2637241 Specdb::MsMs 2637242 Specdb::MsMs 2637243 Specdb::MsMs 2788927 Specdb::MsMs 2788928 Specdb::MsMs 2788929 Specdb::MsMs 2902599 Specdb::MsMs 2902600 Specdb::MsMs 2902601 Specdb::MsMs 2920771 Specdb::MsMs 2920772 Specdb::MsMs 2920773 59665740 FDB036208 131771806 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme