1.0 2020-03-05 04:16:03 UTC 2020-04-22 16:55:51 UTC BMDB0073380 BMDB73380 TG(a-25:0/22:0/14:0)[rac] 1-anteisopentacosanoyl-2-behenoyl-3-myristoyl-glycerol TG(a-25:0/22:0/14:0) TG(61:0) Tag(a-25:0/22:0/14:0) Tag(61:0) Triacylglycerol(a-25:0/22:0/14:0) Triacylglycerol(61:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-docosanoyl-3-tetradecanoyl-glycerol TG(a-25:0/22:0/14:0)[rac] Tracylglycerol(a-25:0/22:0/14:0) Tracylglycerol(61:0) C64H124O6 989.69 988.939791713 (2R)-2-(docosanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate (2R)-2-(docosanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C64H124O6/c1-5-8-10-12-14-16-18-19-20-21-22-27-30-33-37-41-45-49-53-57-64(67)70-61(58-68-62(65)55-51-47-43-39-34-17-15-13-11-9-6-2)59-69-63(66)56-52-48-44-40-36-32-29-26-24-23-25-28-31-35-38-42-46-50-54-60(4)7-3/h60-61H,5-59H2,1-4H3/t60?,61-/m1/s1 OWNAXXULBSWJSM-MBLVYYNZSA-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 10.62 ALOGPS logs -7.94 ALOGPS logp 24.55 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(docosanoyloxy)-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 989.69 ChemAxon mono_mass 988.939791713 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C64H124O6 ChemAxon inchi InChI=1S/C64H124O6/c1-5-8-10-12-14-16-18-19-20-21-22-27-30-33-37-41-45-49-53-57-64(67)70-61(58-68-62(65)55-51-47-43-39-34-17-15-13-11-9-6-2)59-69-63(66)56-52-48-44-40-36-32-29-26-24-23-25-28-31-35-38-42-46-50-54-60(4)7-3/h60-61H,5-59H2,1-4H3/t60?,61-/m1/s1 ChemAxon inchikey OWNAXXULBSWJSM-MBLVYYNZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 301.05 ChemAxon polarizability 136.86 ChemAxon rotatable_bond_count 62 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 244081 Specdb::MsMs 664729 Specdb::MsMs 664730 Specdb::MsMs 664731 Specdb::MsMs 2285599 Specdb::MsMs 2285600 Specdb::MsMs 2285601 Specdb::MsMs 2454958 Specdb::MsMs 2454959 Specdb::MsMs 2454960 Specdb::MsMs 2484483 Specdb::MsMs 2484484 Specdb::MsMs 2484485 Specdb::MsMs 2783410 Specdb::MsMs 2783411 Specdb::MsMs 2783412 Specdb::MsMs 3030986 Specdb::MsMs 3030987 Specdb::MsMs 3030988 FDB042004 131777044