1.0 2020-03-04 19:22:44 UTC 2020-04-22 16:19:15 UTC BMDB0067608 BMDB67608 TG(i-19:0/a-25:0/a-15:0) 1-Isononadecanoyl-2-anteisopentacosanoyl-3-anteisopentadecanoyl-glycerol TG(59:0) Tag(i-19:0/a-25:0/a-15:0) Tag(59:0) Triacylglycerol(i-19:0/a-25:0/a-15:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride Tracylglycerol(i-19:0/a-25:0/a-15:0) Tracylglycerol(59:0) TG(i-19:0/a-25:0/a-15:0) C62H120O6 961.636 960.908491584 (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C62H120O6/c1-7-57(5)49-43-37-31-25-21-17-13-11-9-10-12-14-18-23-27-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-29-28-32-38-44-50-58(6)8-2)54-66-60(63)51-45-39-33-26-22-19-15-16-20-24-30-36-42-48-56(3)4/h56-59H,7-55H2,1-6H3/t57?,58?,59-/m0/s1 QZPLWYKWCFRZNK-UEKSNDEUSA-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 10.47 ALOGPS logs -7.96 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-7-57(5)49-43-37-31-25-21-17-13-11-9-10-12-14-18-23-27-35-41-47-53-62(65)68-59(55-67-61(64)52-46-40-34-29-28-32-38-44-50-58(6)8-2)54-66-60(63)51-45-39-33-26-22-19-15-16-20-24-30-36-42-48-56(3)4/h56-59H,7-55H2,1-6H3/t57?,58?,59-/m0/s1 ChemAxon inchikey QZPLWYKWCFRZNK-UEKSNDEUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.74 ChemAxon polarizability 131.72 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 636580 Specdb::MsMs 636581 Specdb::MsMs 636582 Specdb::MsMs 951391 Specdb::MsMs 951392 Specdb::MsMs 951393 Specdb::MsMs 2332886 Specdb::MsMs 2332887 Specdb::MsMs 2332888 Specdb::MsMs 2668561 Specdb::MsMs 2668562 Specdb::MsMs 2668563 Specdb::MsMs 2824480 Specdb::MsMs 2824481 Specdb::MsMs 2824482 Specdb::MsMs 2853916 Specdb::MsMs 2853917 Specdb::MsMs 2853918 Specdb::MsMs 3078786 Specdb::MsMs 3078787 Specdb::MsMs 3078788 59665793 FDB036261 131771859