1.0 2020-03-04 19:33:30 UTC 2020-04-22 16:22:48 UTC BMDB0068170 BMDB68170 TG(a-21:0/16:0/22:0)[rac] 1-anteisoheneicosanoyl-2-palmitoyl-3-behenoyl-glycerol TG(a-21:0/16:0/22:0) TG(59:0) Tag(a-21:0/16:0/22:0) Tag(59:0) Triacylglycerol(a-21:0/16:0/22:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride 1-anteisoheneicosanoyl-2-hexadecanoyl-3-docosanoyl-glycerol Tracylglycerol(a-21:0/16:0/22:0) Tracylglycerol(59:0) TG(a-21:0/16:0/22:0)[rac] C62H120O6 961.636 960.908491584 (2R)-2-(hexadecanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl docosanoate (2R)-2-(hexadecanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl docosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-22-23-24-25-30-33-37-41-45-49-53-60(63)66-56-59(68-62(65)55-51-47-43-39-35-28-19-17-15-13-11-9-6-2)57-67-61(64)54-50-46-42-38-34-31-27-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 SJKMBTKJGBPNIL-PFUDJBDGSA-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 10.62 ALOGPS logs -7.93 ALOGPS logp 23.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl docosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-22-23-24-25-30-33-37-41-45-49-53-60(63)66-56-59(68-62(65)55-51-47-43-39-35-28-19-17-15-13-11-9-6-2)57-67-61(64)54-50-46-42-38-34-31-27-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 ChemAxon inchikey SJKMBTKJGBPNIL-PFUDJBDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.85 ChemAxon polarizability 132.49 ChemAxon rotatable_bond_count 60 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 233096 Specdb::MsMs 672793 Specdb::MsMs 672794 Specdb::MsMs 672795 Specdb::MsMs 965659 Specdb::MsMs 965660 Specdb::MsMs 965661 Specdb::MsMs 2472851 Specdb::MsMs 2472852 Specdb::MsMs 2472853 Specdb::MsMs 2685180 Specdb::MsMs 2685181 Specdb::MsMs 2685182 Specdb::MsMs 2894195 Specdb::MsMs 2894196 Specdb::MsMs 2894197 Specdb::MsMs 2975351 Specdb::MsMs 2975352 Specdb::MsMs 2975353 Specdb::MsMs 3023514 Specdb::MsMs 3023515 Specdb::MsMs 3023516 FDB036820 131772401