1.0 2020-03-05 03:47:45 UTC 2020-04-22 16:53:10 UTC BMDB0072956 BMDB72956 TG(a-25:0/i-14:0/14:0)[rac] 1-anteisopentacosanoyl-2-isotetradecanoyl-3-myristoyl-glycerol TG(a-25:0/i-14:0/14:0) TG(53:0) Tag(a-25:0/i-14:0/14:0) Tag(53:0) Triacylglycerol(a-25:0/i-14:0/14:0) Triacylglycerol(53:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-isotetradecanoyl-3-tetradecanoyl-glycerol TG(a-25:0/i-14:0/14:0)[rac] Tracylglycerol(53:0) Tracylglycerol(a-25:0/i-14:0/14:0) C56H108O6 877.474 876.814591198 (2R)-2-[(12-methyltridecanoyl)oxy]-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate (2R)-2-[(12-methyltridecanoyl)oxy]-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C InChI=1S/C56H108O6/c1-6-8-9-10-11-12-21-25-31-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-28-27-29-34-39-44-51(3)4)50-61-55(58)47-42-37-32-26-23-20-18-16-14-13-15-17-19-22-24-30-35-40-45-52(5)7-2/h51-53H,6-50H2,1-5H3/t52?,53-/m1/s1 YCPDCFJCSSCTBW-JYYSSWGDSA-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 10.53 ALOGPS logs -7.92 ALOGPS logp 20.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(12-methyltridecanoyl)oxy]-3-(tetradecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 877.474 ChemAxon mono_mass 876.814591198 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C ChemAxon formula C56H108O6 ChemAxon inchi InChI=1S/C56H108O6/c1-6-8-9-10-11-12-21-25-31-36-41-46-54(57)60-49-53(62-56(59)48-43-38-33-28-27-29-34-39-44-51(3)4)50-61-55(58)47-42-37-32-26-23-20-18-16-14-13-15-17-19-22-24-30-35-40-45-52(5)7-2/h51-53H,6-50H2,1-5H3/t52?,53-/m1/s1 ChemAxon inchikey YCPDCFJCSSCTBW-JYYSSWGDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.19 ChemAxon polarizability 119.34 ChemAxon rotatable_bond_count 53 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 215035 Specdb::MsMs 603328 Specdb::MsMs 603329 Specdb::MsMs 603330 Specdb::MsMs 2418301 Specdb::MsMs 2418302 Specdb::MsMs 2418303 Specdb::MsMs 2439025 Specdb::MsMs 2439026 Specdb::MsMs 2439027 Specdb::MsMs 2524137 Specdb::MsMs 2524138 Specdb::MsMs 2524139 Specdb::MsMs 2948667 Specdb::MsMs 2948668 Specdb::MsMs 2948669 Specdb::MsMs 3108900 Specdb::MsMs 3108901 Specdb::MsMs 3108902 FDB041581 131776708