1.0 2020-03-06 06:13:33 UTC 2020-04-22 17:25:00 UTC BMDB0077943 BMDB77943 TG(i-12:0/a-25:0/22:0)[rac] 1-isododecanoyl-2-anteisopentacosanoyl-3-docosanoyl-glycerol TAG(59:0) 1-isododecanoyl-2-anteisopentacosanoyl-3-behenoyl-glycerol Triacylglycerol TAG(i-12:0/a-25:0/22:0) Triglyceride Tracylglycerol(i-12:0/a-25:0/22:0) TG(i-12:0/a-25:0/22:0) Tracylglycerol(59:0) TG(59:0) TG(i-12:0/a-25:0/22:0)[rac] (2R)-1-(Docosanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltetracosanoic acid C62H120O6 961.636 960.908491584 (2R)-1-(docosanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2R)-1-(docosanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-42-47-52-60(63)66-55-59(56-67-61(64)53-48-43-39-38-40-45-50-57(3)4)68-62(65)54-49-44-37-34-31-28-25-22-19-18-20-23-26-29-32-35-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m1/s1 BLBRIRFKHPOATI-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 10.58 ALOGPS logs -7.93 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(docosanoyloxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 961.636 ChemAxon mono_mass 960.908491584 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C62H120O6 ChemAxon inchi InChI=1S/C62H120O6/c1-6-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-36-42-47-52-60(63)66-55-59(56-67-61(64)53-48-43-39-38-40-45-50-57(3)4)68-62(65)54-49-44-37-34-31-28-25-22-19-18-20-23-26-29-32-35-41-46-51-58(5)7-2/h57-59H,6-56H2,1-5H3/t58?,59-/m1/s1 ChemAxon inchikey BLBRIRFKHPOATI-PFUDJBDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.8 ChemAxon polarizability 132.1 ChemAxon rotatable_bond_count 59 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 678391 Specdb::MsMs 678392 Specdb::MsMs 678393 Specdb::MsMs 2337013 Specdb::MsMs 2337014 Specdb::MsMs 2337015 Specdb::MsMs 2349868 Specdb::MsMs 2349869 Specdb::MsMs 2349870 Specdb::MsMs 2529813 Specdb::MsMs 2529814 Specdb::MsMs 2529815 Specdb::MsMs 2589325 Specdb::MsMs 2589326 Specdb::MsMs 2589327 Specdb::MsMs 2744427 Specdb::MsMs 2744428 Specdb::MsMs 2744429 FDB068339 74860536 131804725