1.0 2020-03-04 19:15:24 UTC 2020-04-22 16:17:45 UTC BMDB0067371 BMDB67371 TG(20:0/13:0/17:0) 1-arachidoyl-2-tridecyloyl-3-margaroyl-glycerol TG(50:0) Tag(20:0/13:0/17:0) Tag(50:0) Triacylglycerol(20:0/13:0/17:0) Triacylglycerol(50:0) Triacylglycerol Triglyceride TG(20:0/13:0/17:0) 1-eicosanoyl-2-animal fats-3-margaroyl-glycerol 1-arachidonyl-2-tridecyloyl-3-heptadecanoyl-glycerol TAG(20:0/13:0/17:0) Tracylglycerol(20:0/13:0/17:0) Triacylglycerol TG(50:0) Tracylglycerol(50:0) TAG(50:0) C53H102O6 835.393 834.767641004 (2R)-3-(heptadecanoyloxy)-2-(tridecanoyloxy)propyl icosanoate (2R)-3-(heptadecanoyloxy)-2-(tridecanoyloxy)propyl icosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-33-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1 AYJDAQNIFBHIKC-VCZQVZGSSA-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 -7.88 ALOGPS logp 19.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(heptadecanoyloxy)-2-(tridecanoyloxy)propyl icosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-33-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-34-31-29-25-23-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/t50-/m1/s1 ChemAxon inchikey AYJDAQNIFBHIKC-VCZQVZGSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.49 ChemAxon polarizability 113.59 ChemAxon rotatable_bond_count 52 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 667198 Specdb::MsMs 667199 Specdb::MsMs 667200 Specdb::MsMs 963415 Specdb::MsMs 963416 Specdb::MsMs 963417 Specdb::MsMs 2268466 Specdb::MsMs 2268467 Specdb::MsMs 2268468 Specdb::MsMs 2572694 Specdb::MsMs 2572695 Specdb::MsMs 2572696 Specdb::MsMs 2785282 Specdb::MsMs 2785283 Specdb::MsMs 2785284 Specdb::MsMs 3056525 Specdb::MsMs 3056526 Specdb::MsMs 3056527 Specdb::MsMs 3071055 Specdb::MsMs 3071056 Specdb::MsMs 3071057 FDB036026 131771627