1.0 2020-03-04 23:24:06 UTC 2020-04-22 16:48:37 UTC BMDB0072237 BMDB72237 TG(22:0/a-21:0/16:0)[rac] 1-behenoyl-2-anteisoheneicosanoyl-3-palmitoyl-glycerol TG(22:0/a-21:0/16:0) TG(59:0) Tag(22:0/a-21:0/16:0) Tag(59:0) Triacylglycerol(22:0/a-21:0/16:0) Triacylglycerol(59:0) Triacylglycerol Triglyceride 1-docosanoyl-2-anteisoheneicosanoyl-3-hexadecanoyl-glycerol Tracylglycerol(22:0/a-21:0/16:0) TG(22:0/a-21:0/16:0)[rac] Tracylglycerol(59:0) C62H120O6 961.636 960.908491584 (2R)-3-(hexadecanoyloxy)-2-[(18-methylicosanoyl)oxy]propyl docosanoate (2R)-3-(hexadecanoyloxy)-2-[(18-methylicosanoyl)oxy]propyl docosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-22-23-24-25-30-34-38-42-46-50-54-61(64)67-57-59(56-66-60(63)53-49-45-41-37-33-28-19-17-15-13-11-9-6-2)68-62(65)55-51-47-43-39-35-31-27-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 GOHINYCOWNJYAO-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)-3-(hexadecanoyloxy)-2-[(18-methylicosanoyl)oxy]propyl docosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-5-8-10-12-14-16-18-20-21-22-23-24-25-30-34-38-42-46-50-54-61(64)67-57-59(56-66-60(63)53-49-45-41-37-33-28-19-17-15-13-11-9-6-2)68-62(65)55-51-47-43-39-35-31-27-26-29-32-36-40-44-48-52-58(4)7-3/h58-59H,5-57H2,1-4H3/t58?,59-/m1/s1 ChemAxon inchikey GOHINYCOWNJYAO-PFUDJBDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.85 ChemAxon polarizability 132.43 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 194733 Specdb::MsMs 610798 Specdb::MsMs 610799 Specdb::MsMs 610800 Specdb::MsMs 940888 Specdb::MsMs 940889 Specdb::MsMs 940890 Specdb::MsMs 2636251 Specdb::MsMs 2636252 Specdb::MsMs 2636253 Specdb::MsMs 2734160 Specdb::MsMs 2734161 Specdb::MsMs 2734162 Specdb::MsMs 2734469 Specdb::MsMs 2734470 Specdb::MsMs 2734471 Specdb::MsMs 2907945 Specdb::MsMs 2907946 Specdb::MsMs 2907947 Specdb::MsMs 2971755 Specdb::MsMs 2971756 Specdb::MsMs 2971757 131776109 FDB040867