1.0 2010-04-08 22:05:39 UTC 2019-11-26 02:58:29 UTC FDB003112 Trierucin Widespread in seed oils. Trierucin is found in fats and oils. 1,2,3-Propanetriol tri(13-docosenoate) 1,2,3-Propanetriyl ester(Z,Z,Z)-13-docosenoic acid 13-Docosenoic acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- Erucic acid triglyceride Glycerol trierucate Glyceryl tri(cis-13-docosenoate) Glyceryl trierucate Propane-1,2,3-triyl tris((Z)-docos-13-enoate) Tri(Z-13-docosenoyl)glycerol Trierucate C69H128O6 1053.751 1052.971091828 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate 2752-99-0 CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+ XDSPGKDYYRNYJI-UCTUUELPSA-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 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 logp 10.74 ALOGPS logs -8.20 ALOGPS solubility 6.67e-06 g/l ALOGPS melting_point Mp 32° logp 25.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate ChemAxon average_mass 1053.751 ChemAxon mono_mass 1052.971091828 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC ChemAxon formula C69H128O6 ChemAxon inchi InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+ ChemAxon inchikey XDSPGKDYYRNYJI-UCTUUELPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 327.46 ChemAxon polarizability 143.94 ChemAxon rotatable_bond_count 65 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 597775 Specdb::MsMs 597776 Specdb::MsMs 597777 HMDB31105 #<Reference:0x000055ce31d48b68> #<Reference:0x000055ce31d48988> Fats and oils Unknown generic