1.0 2020-03-07 08:36:02 UTC 2020-04-22 18:07:49 UTC BMDB0084720 BMDB84720 TG(a-15:0/i-24:0/16:0)[rac] 1-anteisopentadecanoyl-2-isotetracosanoyl-3-hexadecanoyl-glycerol 1-anteisopentadecanoyl-2-isotetracosanoyl-3-palmitoyl-glycerol Triacylglycerol TG(a-15:0/i-24:0/16:0) TAG(55:0) Triglyceride Tracylglycerol(a-15:0/i-24:0/16:0) Tracylglycerol(55:0) TG(a-15:0/i-24:0/16:0)[rac] TG(55:0) TAG(a-15:0/i-24:0/16:0) C58H112O6 905.528 904.845891326 (2R)-1-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltricosanoate (2R)-1-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-20-24-27-33-38-43-48-56(59)62-51-55(52-63-57(60)49-44-39-34-30-29-32-37-42-47-54(5)7-2)64-58(61)50-45-40-35-28-25-22-19-17-15-14-16-18-21-23-26-31-36-41-46-53(3)4/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 SLNPJPIXSUDMAD-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 10.54 ALOGPS logs -7.92 ALOGPS logp 21.72 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(hexadecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propan-2-yl 22-methyltricosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-20-24-27-33-38-43-48-56(59)62-51-55(52-63-57(60)49-44-39-34-30-29-32-37-42-47-54(5)7-2)64-58(61)50-45-40-35-28-25-22-19-17-15-14-16-18-21-23-26-31-36-41-46-53(3)4/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 ChemAxon inchikey SLNPJPIXSUDMAD-YAYDSLFLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.39 ChemAxon polarizability 123.64 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::MsMs 577381 Specdb::MsMs 577382 Specdb::MsMs 577383 Specdb::MsMs 2437672 Specdb::MsMs 2437673 Specdb::MsMs 2437674 Specdb::MsMs 2817918 Specdb::MsMs 2817919 Specdb::MsMs 2817920 Specdb::MsMs 2818740 Specdb::MsMs 2818741 Specdb::MsMs 2818742 Specdb::MsMs 2865402 Specdb::MsMs 2865403 Specdb::MsMs 2865404 Specdb::MsMs 2890174 Specdb::MsMs 2890175 Specdb::MsMs 2890176 FDB075157 74867274 131811484