1.0 2020-03-05 23:10:11 UTC 2020-04-22 16:59:29 UTC BMDB0073957 BMDB73957 TG(a-25:0/10:0/20:0)[rac] 1-anteisopentacosanoyl-2-decanoyl-3-arachidoyl-glycerol TG(a-25:0/10:0/20:0) TG(55:0) Tag(a-25:0/10:0/20:0) Tag(55:0) Triacylglycerol(a-25:0/10:0/20:0) Triacylglycerol(55:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-animal fats-3-eicosanoyl-glycerol TG(a-25:0/10:0/20:0)[rac] Tracylglycerol(a-25:0/10:0/20:0) 1-anteisopentacosanoyl-2-decanoic acid-3-arachidonyl-glycerol Tracylglycerol(55:0) C58H112O6 905.528 904.845891326 (2R)-2-(decanoyloxy)-3-(icosanoyloxy)propyl 22-methyltetracosanoate (2R)-2-(decanoyloxy)-3-(icosanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC InChI=1S/C58H112O6/c1-5-8-10-12-14-15-16-17-18-21-25-28-31-34-38-41-45-49-56(59)62-52-55(64-58(61)51-47-43-36-13-11-9-6-2)53-63-57(60)50-46-42-39-35-32-29-26-23-20-19-22-24-27-30-33-37-40-44-48-54(4)7-3/h54-55H,5-53H2,1-4H3/t54?,55-/m1/s1 YNXDLXYIBQNTFN-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 10.64 ALOGPS logs -7.91 ALOGPS logp 21.88 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(decanoyloxy)-3-(icosanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-5-8-10-12-14-15-16-17-18-21-25-28-31-34-38-41-45-49-56(59)62-52-55(64-58(61)51-47-43-36-13-11-9-6-2)53-63-57(60)50-46-42-39-35-32-29-26-23-20-19-22-24-27-30-33-37-40-44-48-54(4)7-3/h54-55H,5-53H2,1-4H3/t54?,55-/m1/s1 ChemAxon inchikey YNXDLXYIBQNTFN-YAYDSLFLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.44 ChemAxon polarizability 124.08 ChemAxon rotatable_bond_count 56 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 590422 Specdb::MsMs 590423 Specdb::MsMs 590424 Specdb::MsMs 2273541 Specdb::MsMs 2273542 Specdb::MsMs 2273543 Specdb::MsMs 2713657 Specdb::MsMs 2713658 Specdb::MsMs 2713659 Specdb::MsMs 2749924 Specdb::MsMs 2749925 Specdb::MsMs 2749926 Specdb::MsMs 2964738 Specdb::MsMs 2964739 Specdb::MsMs 2964740 Specdb::MsMs 3016926 Specdb::MsMs 3016927 Specdb::MsMs 3016928 131770666 FDB042581