1.0 2020-03-07 02:29:27 UTC 2020-04-22 17:33:53 UTC BMDB0079351 BMDB79351 TG(i-13:0/a-17:0/20:0)[rac] 1-isotridecanoyl-2-anteisoheptadecanoyl-3-eicosanoyl-glycerol TG(i-13:0/a-17:0/20:0) Triacylglycerol TG(i-13:0/a-17:0/20:0)[rac] Triglyceride Tracylglycerol(i-13:0/a-17:0/20:0) 1-isotridecanoyl-2-anteisoheptadecanoyl-3-arachidonyl-glycerol TG(50:0) Tracylglycerol(50:0) TAG(50:0) TAG(i-13:0/a-17:0/20:0) C53H102O6 835.393 834.767641004 (2R)-3-[(11-methyldodecanoyl)oxy]-2-[(14-methylhexadecanoyl)oxy]propyl icosanoate (2R)-3-[(11-methyldodecanoyl)oxy]-2-[(14-methylhexadecanoyl)oxy]propyl icosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC InChI=1S/C53H102O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-28-33-38-43-51(54)57-46-50(47-58-52(55)44-39-34-30-25-26-31-36-41-48(3)4)59-53(56)45-40-35-29-24-21-20-22-27-32-37-42-49(5)7-2/h48-50H,6-47H2,1-5H3/t49?,50-/m1/s1 OOLYQHUIMNLZGO-RXFWMZJNSA-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 10.48 ALOGPS logs -7.90 ALOGPS logp 19.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(11-methyldodecanoyl)oxy]-2-[(14-methylhexadecanoyl)oxy]propyl icosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-28-33-38-43-51(54)57-46-50(47-58-52(55)44-39-34-30-25-26-31-36-41-48(3)4)59-53(56)45-40-35-29-24-21-20-22-27-32-37-42-49(5)7-2/h48-50H,6-47H2,1-5H3/t49?,50-/m1/s1 ChemAxon inchikey OOLYQHUIMNLZGO-RXFWMZJNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.39 ChemAxon polarizability 112.79 ChemAxon rotatable_bond_count 50 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 660727 Specdb::MsMs 660728 Specdb::MsMs 660729 Specdb::MsMs 2466926 Specdb::MsMs 2466927 Specdb::MsMs 2466928 Specdb::MsMs 2698344 Specdb::MsMs 2698345 Specdb::MsMs 2698346 Specdb::MsMs 2890126 Specdb::MsMs 2890127 Specdb::MsMs 2890128 Specdb::MsMs 2983064 Specdb::MsMs 2983065 Specdb::MsMs 2983066 Specdb::MsMs 3029558 Specdb::MsMs 3029559 Specdb::MsMs 3029560 FDB069747 74861932 131806131