1.0 2020-03-05 23:07:34 UTC 2020-04-22 16:58:37 UTC BMDB0073820 BMDB73820 TG(a-25:0/i-15:0/15:0)[rac] 1-anteisopentacosanoyl-2-isopentadecanoyl-3-pentadecanoyl-glycerol TG(a-25:0/i-15:0/15:0) TG(55:0) Tag(a-25:0/i-15:0/15:0) Tag(55:0) Triacylglycerol(a-25:0/i-15:0/15:0) Triacylglycerol(55:0) Triacylglycerol Triglyceride Tracylglycerol(a-25:0/i-15:0/15:0) Tracylglycerol(55:0) TG(a-25:0/i-15:0/15:0)[rac] C58H112O6 905.528 904.845891326 (2R)-2-[(13-methyltetradecanoyl)oxy]-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate (2R)-2-[(13-methyltetradecanoyl)oxy]-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-23-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-25-26-31-36-41-46-53(3)4)52-63-57(60)49-44-39-34-29-24-21-19-17-15-14-16-18-20-22-27-32-37-42-47-54(5)7-2/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 OIOGBYMKGCHKNT-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)-2-[(13-methyltetradecanoyl)oxy]-3-(pentadecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 905.528 ChemAxon mono_mass 904.845891326 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C ChemAxon formula C58H112O6 ChemAxon inchi InChI=1S/C58H112O6/c1-6-8-9-10-11-12-13-23-28-33-38-43-48-56(59)62-51-55(64-58(61)50-45-40-35-30-25-26-31-36-41-46-53(3)4)52-63-57(60)49-44-39-34-29-24-21-19-17-15-14-16-18-20-22-27-32-37-42-47-54(5)7-2/h53-55H,6-52H2,1-5H3/t54?,55-/m1/s1 ChemAxon inchikey OIOGBYMKGCHKNT-YAYDSLFLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.39 ChemAxon polarizability 123.6 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 667006 Specdb::MsMs 667007 Specdb::MsMs 667008 Specdb::MsMs 2260747 Specdb::MsMs 2260748 Specdb::MsMs 2260749 Specdb::MsMs 2432167 Specdb::MsMs 2432168 Specdb::MsMs 2432169 Specdb::MsMs 2855296 Specdb::MsMs 2855297 Specdb::MsMs 2855298 Specdb::MsMs 3040552 Specdb::MsMs 3040553 Specdb::MsMs 3040554 Specdb::MsMs 3078348 Specdb::MsMs 3078349 Specdb::MsMs 3078350 FDB042444 131777390