1.0 2020-03-05 23:15:37 UTC 2020-04-22 17:01:15 UTC BMDB0074236 BMDB74236 TG(a-25:0/i-19:0/i-24:0)[rac] 1-anteisopentacosanoyl-2-isononadecanoyl-3-isotetracosanoyl-glycerol TG(a-25:0/i-19:0/i-24:0) TG(68:0) Tag(a-25:0/i-19:0/i-24:0) Tag(68:0) Triacylglycerol(a-25:0/i-19:0/i-24:0) Triacylglycerol(68:0) Triacylglycerol Triglyceride Tracylglycerol(a-25:0/i-19:0/i-24:0) Tracylglycerol(68:0) TG(a-25:0/i-19:0/i-24:0)[rac] C71H138O6 1087.879 1087.049342164 (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C71H138O6/c1-7-67(6)59-53-47-41-35-29-23-17-13-9-11-15-19-25-31-37-43-49-55-61-70(73)76-64-68(77-71(74)62-56-50-44-38-32-26-20-22-28-34-40-46-52-58-66(4)5)63-75-69(72)60-54-48-42-36-30-24-18-14-10-8-12-16-21-27-33-39-45-51-57-65(2)3/h65-68H,7-64H2,1-6H3/t67?,68-/m1/s1 CPZQFMMXWREGPQ-CUDLPBNGSA-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 10.33 ALOGPS logs -7.99 ALOGPS logp 27.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltricosanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 1087.879 ChemAxon mono_mass 1087.049342164 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C71H138O6 ChemAxon inchi InChI=1S/C71H138O6/c1-7-67(6)59-53-47-41-35-29-23-17-13-9-11-15-19-25-31-37-43-49-55-61-70(73)76-64-68(77-71(74)62-56-50-44-38-32-26-20-22-28-34-40-46-52-58-66(4)5)63-75-69(72)60-54-48-42-36-30-24-18-14-10-8-12-16-21-27-33-39-45-51-57-65(2)3/h65-68H,7-64H2,1-6H3/t67?,68-/m1/s1 ChemAxon inchikey CPZQFMMXWREGPQ-CUDLPBNGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 333.15 ChemAxon polarizability 151.25 ChemAxon rotatable_bond_count 67 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::CMs 242688 Specdb::MsMs 600283 Specdb::MsMs 600284 Specdb::MsMs 600285 Specdb::MsMs 2401961 Specdb::MsMs 2401962 Specdb::MsMs 2401963 Specdb::MsMs 2463210 Specdb::MsMs 2463211 Specdb::MsMs 2463212 Specdb::MsMs 2939282 Specdb::MsMs 2939283 Specdb::MsMs 2939284 Specdb::MsMs 3039361 Specdb::MsMs 3039362 Specdb::MsMs 3039363 Specdb::MsMs 3100357 Specdb::MsMs 3100358 Specdb::MsMs 3100359 FDB042860