1.0 2020-03-06 03:32:19 UTC 2020-04-22 17:01:36 UTC BMDB0074290 BMDB74290 TG(i-24:0/16:0/21:0) 1-isotetracosanoyl-2-palmitoyl-3-heneicosyloyl-glycerol TG(i-24:0/16:0/21:0) TG(61:0) Tag(i-24:0/16:0/21:0) Tag(61:0) Triacylglycerol(i-24:0/16:0/21:0) Triacylglycerol(61:0) Triacylglycerol Triglyceride 1-isotetracosanoyl-2-hexadecanoyl-3-heneicosyloyl-glycerol Tracylglycerol(i-24:0/16:0/21:0) Tracylglycerol(61:0) C64H124O6 989.69 988.939791713 (2R)-3-(henicosanoyloxy)-2-(hexadecanoyloxy)propyl 22-methyltricosanoate (2R)-3-(henicosanoyloxy)-2-(hexadecanoyloxy)propyl 22-methyltricosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-20-21-25-28-32-35-39-43-47-51-55-62(65)68-58-61(70-64(67)57-53-49-45-41-37-30-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-33-29-26-23-22-24-27-31-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m1/s1 RLELGITVPDDLNW-QRXDBQBNSA-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 10.56 ALOGPS logs -7.94 ALOGPS logp 24.55 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-(henicosanoyloxy)-2-(hexadecanoyloxy)propyl 22-methyltricosanoate ChemAxon average_mass 989.69 ChemAxon mono_mass 988.939791713 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C64H124O6 ChemAxon inchi InChI=1S/C64H124O6/c1-5-7-9-11-13-15-17-19-20-21-25-28-32-35-39-43-47-51-55-62(65)68-58-61(70-64(67)57-53-49-45-41-37-30-18-16-14-12-10-8-6-2)59-69-63(66)56-52-48-44-40-36-33-29-26-23-22-24-27-31-34-38-42-46-50-54-60(3)4/h60-61H,5-59H2,1-4H3/t61-/m1/s1 ChemAxon inchikey RLELGITVPDDLNW-QRXDBQBNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 301.05 ChemAxon polarizability 136.92 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 235870 Specdb::MsMs 647329 Specdb::MsMs 647330 Specdb::MsMs 647331 Specdb::MsMs 2440267 Specdb::MsMs 2440268 Specdb::MsMs 2440269 Specdb::MsMs 2525070 Specdb::MsMs 2525071 Specdb::MsMs 2525072 Specdb::MsMs 2598166 Specdb::MsMs 2598167 Specdb::MsMs 2598168 Specdb::MsMs 2705399 Specdb::MsMs 2705400 Specdb::MsMs 2705401 Specdb::MsMs 3065879 Specdb::MsMs 3065880 Specdb::MsMs 3065881 FDB042914