1.0 2020-03-25 16:35:20 UTC 2020-05-20 22:30:02 UTC BMDB0097054 TG(14:0/14:0/22:1(13Z)) 1-Myristoyl-2-myristoyl-3-erucoyl-glycerol 1-Tetradecanoyl-2-tetradecanoyl-3-(13Z-docosenoyl)-glycerol TAG(14:0/14:0/22:1) TAG(50:1) TG(14:0/14:0/22:1) TG(50:1) Tracylglycerol(14:0/14:0/22:1) Tracylglycerol(50:1) Triacylglycerol Triglyceride TG(14:0/14:0/22:1(13Z)) C53H100O6 833.377 832.75199094 (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z)-docos-13-enoate (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-/t50-/m0/s1 QWMBTEGAJPAXSE-KPGYGYTHSA-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 10.68 ALOGPS logs -7.89 ALOGPS logp 19.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z)-docos-13-enoate ChemAxon average_mass 833.377 ChemAxon mono_mass 832.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C53H100O6 ChemAxon inchi InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h23-24,50H,4-22,25-49H2,1-3H3/b24-23-/t50-/m0/s1 ChemAxon inchikey QWMBTEGAJPAXSE-KPGYGYTHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 251.61 ChemAxon polarizability 111.78 ChemAxon rotatable_bond_count 51 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 222708 Specdb::MsMs 582817 Specdb::MsMs 582818 Specdb::MsMs 582819 Specdb::MsMs 929599 Specdb::MsMs 929600 Specdb::MsMs 929601 Specdb::MsMs 2381183 Specdb::MsMs 2381184 Specdb::MsMs 2381185 Specdb::MsMs 2415583 Specdb::MsMs 2415584 Specdb::MsMs 2415585 Specdb::MsMs 2580639 Specdb::MsMs 2580640 Specdb::MsMs 2580641 Specdb::MsMs 2677185 Specdb::MsMs 2677186 Specdb::MsMs 2677187 Specdb::MsMs 2952402 Specdb::MsMs 2952403 Specdb::MsMs 2952404 131753220