1.0 2020-03-25 16:35:35 UTC 2020-04-22 19:02:02 UTC BMDB0097057 TG(14:0/14:0/22:2(13Z,16Z)) 1-Myristoyl-2-myristoyl-3-docosadienoyl-glycerol 1-Tetradecanoyl-2-tetradecanoyl-3-(13Z,16Z-docosadienoyl)-glycerol TAG(14:0/14:0/22:2) TAG(50:2) TG(14:0/14:0/22:2) TG(50:2) Tracylglycerol(14:0/14:0/22:2) Tracylglycerol(50:2) Triacylglycerol Triglyceride TG(14:0/14:0/22:2(13Z,16Z)) C53H98O6 831.361 830.736340876 (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C53H98O6/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/h16,19,23-24,50H,4-15,17-18,20-22,25-49H2,1-3H3/b19-16-,24-23-/t50-/m0/s1 SMZWGDMJWSWHIO-AGRGYXCISA-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 10.72 ALOGPS logs -8.06 ALOGPS logp 19.09 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(tetradecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 831.361 ChemAxon mono_mass 830.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C53H98O6 ChemAxon inchi InChI=1S/C53H98O6/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/h16,19,23-24,50H,4-15,17-18,20-22,25-49H2,1-3H3/b19-16-,24-23-/t50-/m0/s1 ChemAxon inchikey SMZWGDMJWSWHIO-AGRGYXCISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 252.73 ChemAxon polarizability 110.4 ChemAxon rotatable_bond_count 50 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 612928 Specdb::MsMs 612929 Specdb::MsMs 612930 Specdb::MsMs 941770 Specdb::MsMs 941771 Specdb::MsMs 941772 Specdb::MsMs 2433640 Specdb::MsMs 2433641 Specdb::MsMs 2433642 Specdb::MsMs 2504963 Specdb::MsMs 2504964 Specdb::MsMs 2504965 Specdb::MsMs 2658769 Specdb::MsMs 2658770 Specdb::MsMs 2658771 Specdb::MsMs 3030611 Specdb::MsMs 3030612 Specdb::MsMs 3030613 Specdb::MsMs 3062632 Specdb::MsMs 3062633 Specdb::MsMs 3062634 131753227