1.0 2010-04-08 22:05:20 UTC 2019-11-26 02:57:21 UTC FDB002360 Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate) Constituent of the seeds of Punica granatum (pomegranate). Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate) is found in fruits. Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate) C57H92O6 873.3368 872.689390676 1-[(8Z,11Z,13E)-octadeca-8,11,13-trienoyloxy]-3-[(9Z,11E,13Z)-octadeca-9,11,13-trienoyloxy]propan-2-yl (9Z,11E,13Z)-octadeca-9,11,13-trienoate 1-[(8Z,11Z,13E)-octadeca-8,11,13-trienoyloxy]-3-[(9Z,11E,13Z)-octadeca-9,11,13-trienoyloxy]propan-2-yl (9Z,11E,13Z)-octadeca-9,11,13-trienoate 189164-13-4 CCCC\C=C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C\CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C\CCCC InChI=1S/C57H92O6/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/h13-25,27-30,32,54H,4-12,26,31,33-53H2,1-3H3/b16-13-,17-14+,18-15-,22-19+,23-20-,24-21+,28-25-,30-27-,32-29- ZXZCCRJAFYCTTD-HZCOQAAFSA-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 10.14 ALOGPS logs -8.24 ALOGPS solubility 5.05e-06 g/l ALOGPS logp 18.33 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-[(8Z,11Z,13E)-octadeca-8,11,13-trienoyloxy]-3-[(9Z,11E,13Z)-octadeca-9,11,13-trienoyloxy]propan-2-yl (9Z,11E,13Z)-octadeca-9,11,13-trienoate ChemAxon average_mass 873.3368 ChemAxon mono_mass 872.689390676 ChemAxon smiles CCCC\C=C\C=C/C\C=C/CCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C=C/C=C\CCCC)OC(=O)CCCCCCC\C=C/C=C/C=C\CCCC ChemAxon formula C57H92O6 ChemAxon inchi InChI=1S/C57H92O6/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/h13-25,27-30,32,54H,4-12,26,31,33-53H2,1-3H3/b16-13-,17-14+,18-15-,22-19+,23-20-,24-21+,28-25-,30-27-,32-29- ChemAxon inchikey ZXZCCRJAFYCTTD-HZCOQAAFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 278.95 ChemAxon polarizability 112.65 ChemAxon rotatable_bond_count 47 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 581485 Specdb::MsMs 581486 Specdb::MsMs 581487 Specdb::MsMs 2363861 Specdb::MsMs 2363862 Specdb::MsMs 2363863 Specdb::MsMs 2604188 Specdb::MsMs 2604189 Specdb::MsMs 2604190 Specdb::MsMs 2662141 Specdb::MsMs 2662142 Specdb::MsMs 2662143 Specdb::MsMs 3006444 Specdb::MsMs 3006445 Specdb::MsMs 3006446 Specdb::MsMs 3020187 Specdb::MsMs 3020188 Specdb::MsMs 3020189 HMDB30491 #<Reference:0x000055ce31a36ad8> Fruits Unknown generic