1.0 2020-03-26 03:50:46 UTC 2020-05-21 16:29:06 UTC BMDB0102625 TG(16:1(9Z)/22:0/16:1(9Z)) Triacylglycerol TG(54:2) Tracylglycerol(16:1/22:0/16:1) TG(16:1/22:0/16:1) Triglyceride 1-Palmitoleoyl-2-behenoyl-3-palmitoleoyl-glycerol Tracylglycerol(54:2) TAG(16:1/22:0/16:1) 1-(9Z-Hexadecenoyl)-2-docosanoyl-3-(9Z-hexadecenoyl)-glycerol TAG(54:2) TG(16:1(9Z)/22:0/16:1(9Z)) C57H106O6 887.4479 886.798941124 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl docosanoate 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl docosanoate [H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21- SCKPWGYVJPFAGF-XFUYORNGSA-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 10.76 ALOGPS logs -8.06 ALOGPS logp 20.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl docosanoate ChemAxon average_mass 887.4479 ChemAxon mono_mass 886.798941124 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C57H106O6 ChemAxon inchi InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h20-21,23-24,54H,4-19,22,25-53H2,1-3H3/b23-20-,24-21- ChemAxon inchikey SCKPWGYVJPFAGF-XFUYORNGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 271.13 ChemAxon polarizability 119.44 ChemAxon rotatable_bond_count 54 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 672091 Specdb::MsMs 672092 Specdb::MsMs 672093 Specdb::MsMs 2552300 Specdb::MsMs 2552301 Specdb::MsMs 2552302 Specdb::MsMs 2672207 Specdb::MsMs 2672208 Specdb::MsMs 2672209 Specdb::MsMs 2764758 Specdb::MsMs 2764759 Specdb::MsMs 2764760 Specdb::MsMs 2966181 Specdb::MsMs 2966182 Specdb::MsMs 2966183 Specdb::MsMs 3010428 Specdb::MsMs 3010429 Specdb::MsMs 3010430 131759350 BMDBP02992 Patatin-like phospholipase domain-containing protein 2 Q2KI18 PNPLA2 Enzyme