1.0 2020-03-04 20:19:20 UTC 2020-04-22 16:28:20 UTC BMDB0069046 BMDB69046 TG(a-21:0/10:0/i-24:0)[rac] 1-anteisoheneicosanoyl-2-decanoyl-3-isotetracosanoyl-glycerol TG(a-21:0/10:0/i-24:0) TG(55:0) Tag(a-21:0/10:0/i-24:0) Tag(55:0) Triacylglycerol(a-21:0/10:0/i-24:0) Triacylglycerol(55:0) Triacylglycerol Triglyceride 1-anteisoheneicosanoyl-2-animal fats-3-isotetracosanoyl-glycerol 1-anteisoheneicosanoyl-2-decanoic acid-3-isotetracosanoyl-glycerol TG(a-21:0/10:0/i-24:0)[rac] Tracylglycerol(55:0) Tracylglycerol(a-21:0/10:0/i-24:0) C58H112O6 905.528 904.845891326 (2R)-2-(decanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate (2R)-2-(decanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC InChI=1S/C58H112O6/c1-6-8-9-10-31-40-45-50-58(61)64-55(52-63-57(60)49-44-39-35-30-26-22-18-17-20-24-28-33-37-42-47-54(5)7-2)51-62-56(59)48-43-38-34-29-25-21-16-14-12-11-13-15-19-23-27-32-36-41-46-53(3)4/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 IDRZNFVAJFPSHW-YAYDSLFLSA-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 10.57 ALOGPS logs -7.92 ALOGPS logp 21.72 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(decanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-6-8-9-10-31-40-45-50-58(61)64-55(52-63-57(60)49-44-39-35-30-26-22-18-17-20-24-28-33-37-42-47-54(5)7-2)51-62-56(59)48-43-38-34-29-25-21-16-14-12-11-13-15-19-23-27-32-36-41-46-53(3)4/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 ChemAxon inchikey IDRZNFVAJFPSHW-YAYDSLFLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.39 ChemAxon polarizability 123.88 ChemAxon rotatable_bond_count 55 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 233202 Specdb::MsMs 658438 Specdb::MsMs 658439 Specdb::MsMs 658440 Specdb::MsMs 959995 Specdb::MsMs 959996 Specdb::MsMs 959997 Specdb::MsMs 2414389 Specdb::MsMs 2414390 Specdb::MsMs 2414391 Specdb::MsMs 2424388 Specdb::MsMs 2424389 Specdb::MsMs 2424390 Specdb::MsMs 2514691 Specdb::MsMs 2514692 Specdb::MsMs 2514693 Specdb::MsMs 2831668 Specdb::MsMs 2831669 Specdb::MsMs 2831670 Specdb::MsMs 2943505 Specdb::MsMs 2943506 Specdb::MsMs 2943507 FDB037696 131773241