1.0 2020-03-07 02:15:53 UTC 2020-04-22 17:30:07 UTC BMDB0078756 BMDB78756 TG(13:0/a-15:0/i-12:0)[rac] 1-animal fats-2-anteisopentadecanoyl-3-isododecanoyl-glycerol 1-tridecyloyl-2-anteisopentadecanoyl-3-isododecanoyl-glycerol TAG(13:0/a-15:0/i-12:0) Triacylglycerol Triglyceride TG(13:0/a-15:0/i-12:0)[rac] TG(13:0/a-15:0/i-12:0) TG(40:0) TAG(40:0) Tracylglycerol(40:0) Tracylglycerol(13:0/a-15:0/i-12:0) (2S)-1-[(10-Methylundecanoyl)oxy]-3-(tridecanoyloxy)propan-2-yl 12-methyltetradecanoic acid C43H82O6 695.123 694.61114036 (2S)-1-[(10-methylundecanoyl)oxy]-3-(tridecanoyloxy)propan-2-yl 12-methyltetradecanoate (2S)-1-[(10-methylundecanoyl)oxy]-3-(tridecanoyloxy)propan-2-yl 12-methyltetradecanoate [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C43H82O6/c1-6-8-9-10-11-12-13-17-23-28-33-41(44)47-36-40(37-48-42(45)34-29-24-20-19-21-26-31-38(3)4)49-43(46)35-30-25-18-15-14-16-22-27-32-39(5)7-2/h38-40H,6-37H2,1-5H3/t39?,40-/m0/s1 JYFWZOPBMOSBDA-YFCYKHDGSA-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 9.83 ALOGPS logs -7.79 ALOGPS logp 15.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(10-methylundecanoyl)oxy]-3-(tridecanoyloxy)propan-2-yl 12-methyltetradecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-6-8-9-10-11-12-13-17-23-28-33-41(44)47-36-40(37-48-42(45)34-29-24-20-19-21-26-31-38(3)4)49-43(46)35-30-25-18-15-14-16-22-27-32-39(5)7-2/h38-40H,6-37H2,1-5H3/t39?,40-/m0/s1 ChemAxon inchikey JYFWZOPBMOSBDA-YFCYKHDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.38 ChemAxon polarizability 91.48 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 218738 Specdb::MsMs 588991 Specdb::MsMs 588992 Specdb::MsMs 588993 Specdb::MsMs 2496389 Specdb::MsMs 2496390 Specdb::MsMs 2496391 Specdb::MsMs 2674744 Specdb::MsMs 2674745 Specdb::MsMs 2674746 Specdb::MsMs 2704031 Specdb::MsMs 2704032 Specdb::MsMs 2704033 Specdb::MsMs 2816992 Specdb::MsMs 2816993 Specdb::MsMs 2816994 Specdb::MsMs 3001756 Specdb::MsMs 3001757 Specdb::MsMs 3001758 FDB069152 74861343 131805536