1.0 2010-04-08 22:12:59 UTC 2018-05-29 01:30:41 UTC FDB017271 Triparinarin Isolated from the seed fat of Parinarium laurinium Triparinarin C57H86O6 867.2891 866.642440484 1-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate 1-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate CC\C=C\C=C\C=C\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC)OC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC InChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-30,54H,4-6,31-53H2,1-3H3/b10-7+,11-8+,12-9+,16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26+,30-27- BSOKWTTWQNVYKF-KQWCLDJMSA-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. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 9.21 ALOGPS logs -7.90 ALOGPS solubility 1.10e-05 g/l ALOGPS melting_point Mp 49-50° logp 17.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]-3-[(9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyloxy]propan-2-yl (9Z,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate ChemAxon average_mass 867.2891 ChemAxon mono_mass 866.642440484 ChemAxon smiles CC\C=C\C=C\C=C\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC)OC(=O)CCCCCCC\C=C/C=C/C=C/C=C/CC ChemAxon formula C57H86O6 ChemAxon inchi InChI=1S/C57H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-30,54H,4-6,31-53H2,1-3H3/b10-7+,11-8+,12-9+,16-13+,17-14+,18-15+,22-19+,23-20+,24-21+,28-25-,29-26+,30-27- ChemAxon inchikey BSOKWTTWQNVYKF-KQWCLDJMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.3 ChemAxon polarizability 111.84 ChemAxon rotatable_bond_count 44 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 582406 Specdb::MsMs 582407 Specdb::MsMs 582408 Specdb::MsMs 2358885 Specdb::MsMs 2358886 Specdb::MsMs 2358887 Specdb::MsMs 2474945 Specdb::MsMs 2474946 Specdb::MsMs 2474947 Specdb::MsMs 2603624 Specdb::MsMs 2603625 Specdb::MsMs 2603626 Specdb::MsMs 2767187 Specdb::MsMs 2767188 Specdb::MsMs 2767189 Specdb::MsMs 2896248 Specdb::MsMs 2896249 Specdb::MsMs 2896250 HMDB38060 #<Reference:0x000055ce30253268>