1.0 2020-03-05 23:06:15 UTC 2020-04-22 16:58:13 UTC BMDB0073756 BMDB73756 TG(a-25:0/i-22:0/i-22:0)[rac] 1-anteisopentacosanoyl-2-isodocosanoyl-3-isodocosanoyl-glycerol TG(a-25:0/i-22:0/i-22:0) TG(69:0) Tag(a-25:0/i-22:0/i-22:0) Tag(69:0) Triacylglycerol(a-25:0/i-22:0/i-22:0) Triacylglycerol(69:0) Triacylglycerol Triglyceride Tracylglycerol(69:0) Tracylglycerol(a-25:0/i-22:0/i-22:0) TG(a-25:0/i-22:0/i-22:0)[rac] C72H140O6 1101.906 1101.064992228 (2S)-2,3-bis[(20-methylhenicosanoyl)oxy]propyl 22-methyltetracosanoate (2S)-2,3-bis[(20-methylhenicosanoyl)oxy]propyl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C72H140O6/c1-7-68(6)60-54-48-42-36-30-24-18-10-8-9-11-19-25-31-37-43-49-55-61-70(73)76-64-69(78-72(75)63-57-51-45-39-33-27-21-15-13-17-23-29-35-41-47-53-59-67(4)5)65-77-71(74)62-56-50-44-38-32-26-20-14-12-16-22-28-34-40-46-52-58-66(2)3/h66-69H,7-65H2,1-6H3/t68?,69-/m0/s1 UINQNMATNBABOV-DLSSZJRNSA-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 10.31 ALOGPS logs -7.99 ALOGPS logp 27.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(20-methylhenicosanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 1101.906 ChemAxon mono_mass 1101.064992228 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C72H140O6 ChemAxon inchi InChI=1S/C72H140O6/c1-7-68(6)60-54-48-42-36-30-24-18-10-8-9-11-19-25-31-37-43-49-55-61-70(73)76-64-69(78-72(75)63-57-51-45-39-33-27-21-15-13-17-23-29-35-41-47-53-59-67(4)5)65-77-71(74)62-56-50-44-38-32-26-20-14-12-16-22-28-34-40-46-52-58-66(2)3/h66-69H,7-65H2,1-6H3/t68?,69-/m0/s1 ChemAxon inchikey UINQNMATNBABOV-DLSSZJRNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 337.75 ChemAxon polarizability 153.31 ChemAxon rotatable_bond_count 68 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 209032 Specdb::MsMs 596968 Specdb::MsMs 596969 Specdb::MsMs 596970 Specdb::MsMs 2330367 Specdb::MsMs 2330368 Specdb::MsMs 2330369 Specdb::MsMs 2557137 Specdb::MsMs 2557138 Specdb::MsMs 2557139 Specdb::MsMs 2635576 Specdb::MsMs 2635577 Specdb::MsMs 2635578 Specdb::MsMs 2746537 Specdb::MsMs 2746538 Specdb::MsMs 2746539 Specdb::MsMs 2770202 Specdb::MsMs 2770203 Specdb::MsMs 2770204 FDB042380