1.0 2020-03-06 06:40:08 UTC 2020-04-22 17:27:37 UTC BMDB0078359 BMDB78359 TG(13:0/i-13:0/14:0) 1-animal fats-2-isotridecanoyl-3-tetradecanoyl-glycerol Triacylglycerol Tracylglycerol(13:0/i-13:0/14:0) Triglyceride TG(40:0) TG(13:0/i-13:0/14:0) TAG(40:0) Tracylglycerol(40:0) TAG(13:0/i-13:0/14:0) 1-tridecyloyl-2-isotridecanoyl-3-myristoyl-glycerol (2S)-2-[(11-Methyldodecanoyl)oxy]-3-(tridecanoyloxy)propyl tetradecanoic acid C43H82O6 695.123 694.61114036 (2S)-2-[(11-methyldodecanoyl)oxy]-3-(tridecanoyloxy)propyl tetradecanoate (2S)-2-[(11-methyldodecanoyl)oxy]-3-(tridecanoyloxy)propyl tetradecanoate [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C InChI=1S/C43H82O6/c1-5-7-9-11-13-15-17-19-23-27-31-35-42(45)48-38-40(49-43(46)36-32-28-24-20-21-25-29-33-39(3)4)37-47-41(44)34-30-26-22-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3/t40-/m0/s1 FKUCUMQIAOLBFC-FAIXQHPJSA-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 9.96 ALOGPS logs -7.74 ALOGPS logp 15.21 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11-methyldodecanoyl)oxy]-3-(tridecanoyloxy)propyl tetradecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-5-7-9-11-13-15-17-19-23-27-31-35-42(45)48-38-40(49-43(46)36-32-28-24-20-21-25-29-33-39(3)4)37-47-41(44)34-30-26-22-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3/t40-/m0/s1 ChemAxon inchikey FKUCUMQIAOLBFC-FAIXQHPJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.43 ChemAxon polarizability 91.8 ChemAxon rotatable_bond_count 41 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::MsMs 592504 Specdb::MsMs 592505 Specdb::MsMs 592506 Specdb::MsMs 2307819 Specdb::MsMs 2307820 Specdb::MsMs 2307821 Specdb::MsMs 2387030 Specdb::MsMs 2387031 Specdb::MsMs 2387032 Specdb::MsMs 2579439 Specdb::MsMs 2579440 Specdb::MsMs 2579441 Specdb::MsMs 2580585 Specdb::MsMs 2580586 Specdb::MsMs 2580587 Specdb::MsMs 2786953 Specdb::MsMs 2786954 Specdb::MsMs 2786955 FDB068755 74860950 131805139