1.0 2020-03-07 06:20:35 UTC 2020-04-22 17:54:40 UTC BMDB0082649 BMDB82649 TG(i-15:0/a-13:0/i-12:0)[rac] 1-isopentadecanoyl-2-anteisotridecanoyl-3-isododecanoyl-glycerol Triacylglycerol Tracylglycerol(i-15:0/a-13:0/i-12:0) Triglyceride TG(i-15:0/a-13:0/i-12:0) TG(i-15:0/a-13:0/i-12:0)[rac] TG(40:0) TAG(40:0) Tracylglycerol(40:0) TAG(i-15:0/a-13:0/i-12:0) C43H82O6 695.123 694.61114036 (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propyl 13-methyltetradecanoate (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propyl 13-methyltetradecanoate [H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC InChI=1S/C43H82O6/c1-7-39(6)31-25-19-14-16-22-28-34-43(46)49-40(36-48-42(45)33-27-21-15-13-18-24-30-38(4)5)35-47-41(44)32-26-20-12-10-8-9-11-17-23-29-37(2)3/h37-40H,7-36H2,1-6H3/t39?,40-/m0/s1 SJWFASRAGYMORG-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 9.66 ALOGPS logs -7.86 ALOGPS logp 14.89 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propyl 13-methyltetradecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-7-39(6)31-25-19-14-16-22-28-34-43(46)49-40(36-48-42(45)33-27-21-15-13-18-24-30-38(4)5)35-47-41(44)32-26-20-12-10-8-9-11-17-23-29-37(2)3/h37-40H,7-36H2,1-6H3/t39?,40-/m0/s1 ChemAxon inchikey SJWFASRAGYMORG-YFCYKHDGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.33 ChemAxon polarizability 91.06 ChemAxon rotatable_bond_count 39 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 246399 Specdb::MsMs 568267 Specdb::MsMs 568268 Specdb::MsMs 568269 Specdb::MsMs 2269048 Specdb::MsMs 2269049 Specdb::MsMs 2269050 Specdb::MsMs 2671563 Specdb::MsMs 2671564 Specdb::MsMs 2671565 Specdb::MsMs 2772497 Specdb::MsMs 2772498 Specdb::MsMs 2772499 Specdb::MsMs 2909357 Specdb::MsMs 2909358 Specdb::MsMs 2909359 Specdb::MsMs 3021297 Specdb::MsMs 3021298 Specdb::MsMs 3021299 FDB073046 74865221 131809422