1.0 2020-03-06 06:41:33 UTC 2020-04-22 17:27:45 UTC BMDB0078381 BMDB78381 TG(a-13:0/a-13:0/a-15:0)[rac] 1-anteisotridecanoyl-2-anteisotridecanoyl-3-anteisopentadecanoyl-glycerol Triacylglycerol TAG(41:0) Triglyceride TAG(a-13:0/a-13:0/a-15:0) TG(a-13:0/a-13:0/a-15:0) TG(a-13:0/a-13:0/a-15:0)[rac] Tracylglycerol(41:0) Tracylglycerol(a-13:0/a-13:0/a-15:0) TG(41:0) (2R)-2,3-Bis[(10-methyldodecanoyl)oxy]propyl 12-methyltetradecanoic acid C44H84O6 709.15 708.626790425 (2R)-2,3-bis[(10-methyldodecanoyl)oxy]propyl 12-methyltetradecanoate (2R)-2,3-bis[(10-methyldodecanoyl)oxy]propyl 12-methyltetradecanoate [H][C@@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC InChI=1S/C44H84O6/c1-7-38(4)30-24-18-12-10-11-13-21-27-33-42(45)48-36-41(50-44(47)35-29-23-17-15-20-26-32-40(6)9-3)37-49-43(46)34-28-22-16-14-19-25-31-39(5)8-2/h38-41H,7-37H2,1-6H3/t38?,39?,40?,41-/m1/s1 FTILGQDSXKDSDI-SEZFIHLESA-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 9.88 ALOGPS logs -7.86 ALOGPS logp 15.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(10-methyldodecanoyl)oxy]propyl 12-methyltetradecanoate ChemAxon average_mass 709.15 ChemAxon mono_mass 708.626790425 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C44H84O6 ChemAxon inchi InChI=1S/C44H84O6/c1-7-38(4)30-24-18-12-10-11-13-21-27-33-42(45)48-36-41(50-44(47)35-29-23-17-15-20-26-32-40(6)9-3)37-49-43(46)34-28-22-16-14-19-25-31-39(5)8-2/h38-41H,7-37H2,1-6H3/t38?,39?,40?,41-/m1/s1 ChemAxon inchikey FTILGQDSXKDSDI-SEZFIHLESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 208.93 ChemAxon polarizability 92.96 ChemAxon rotatable_bond_count 40 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 242210 Specdb::MsMs 596629 Specdb::MsMs 596630 Specdb::MsMs 596631 Specdb::MsMs 2301108 Specdb::MsMs 2301109 Specdb::MsMs 2301110 Specdb::MsMs 2381705 Specdb::MsMs 2381706 Specdb::MsMs 2381707 Specdb::MsMs 2581035 Specdb::MsMs 2581036 Specdb::MsMs 2581037 Specdb::MsMs 2615019 Specdb::MsMs 2615020 Specdb::MsMs 2615021 Specdb::MsMs 2715172 Specdb::MsMs 2715173 Specdb::MsMs 2715174 FDB068777 131805161