1.0 2020-03-07 08:50:01 UTC 2020-04-22 18:09:11 UTC BMDB0084934 BMDB84934 TG(16:0/10:0/14:0) 1-tetradecanoyl-2-animal fats-3-hexadecanoyl-glycerol 1-myristoyl-2-decanoic acid-3-palmitoyl-glycerol Triacylglycerol Triglyceride TG(40:0) TG(14:0/10:0/16:0) TAG(40:0) Tracylglycerol(40:0) Tracylglycerol(14:0/10:0/16:0) TAG(14:0/10:0/16:0) C43H82O6 695.123 694.61114036 (2S)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate (2S)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-26-15-12-9-6-3)38-47-41(44)35-32-29-27-24-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1 ZREWTUFFLBYMRK-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 10.19 ALOGPS logs -7.74 ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(decanoyloxy)-3-(tetradecanoyloxy)propyl hexadecanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-13-16-18-20-21-23-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-26-15-12-9-6-3)38-47-41(44)35-32-29-27-24-22-19-17-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1 ChemAxon inchikey ZREWTUFFLBYMRK-FAIXQHPJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.27 ChemAxon rotatable_bond_count 42 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 685225 Specdb::MsMs 685226 Specdb::MsMs 685227 Specdb::MsMs 2292984 Specdb::MsMs 2292985 Specdb::MsMs 2292986 Specdb::MsMs 2339448 Specdb::MsMs 2339449 Specdb::MsMs 2339450 Specdb::MsMs 2626010 Specdb::MsMs 2626011 Specdb::MsMs 2626012 Specdb::MsMs 2901264 Specdb::MsMs 2901265 Specdb::MsMs 2901266 Specdb::MsMs 3036986 Specdb::MsMs 3036987 Specdb::MsMs 3036988 FDB071043 74863218 131807427