1.02010-04-08 22:05:35 UTC2019-11-26 02:58:12 UTCFDB002947Linolenelaidic acidIsolated from seed oil of safflower (Carthamus tinctorius). Linolenelaidic acid is found in fats and oils.(9E,12E,15E)-9,12,15-Octadecatrienoate(9E,12E,15E)-9,12,15-Octadecatrienoic acidElaidolinolenic acidLinolenelaidic acidC18H30O2278.4296278.224580204octadeca-9,12,15-trienoic acidoctadeca-9,12,15-trienoic acid28290-79-1CCC=CCC=CCC=CCCCCCCCC(O)=OInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)DTOSIQBPPRVQHS-UHFFFAOYSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.Lineolic acids and derivativesOrganic compoundsLipids and lipid-like moleculesFatty AcylsLineolic acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesLong-chain fatty acidsMonocarboxylic acids and derivativesOrganic oxidesStraight chain fatty acidsUnsaturated fatty acidsAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeFatty acidHydrocarbon derivativeLong-chain fatty acidMonocarboxylic acid or derivativesOctadecanoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundStraight chain fatty acidUnsaturated fatty acidLiquidlogp6.62logs-6.02solubility2.66e-04 g/lmelting_pointMp 29.5-30°logp6.06pka_strongest_acidic4.99iupacoctadeca-9,12,15-trienoic acidaverage_mass278.4296mono_mass278.224580204smilesCCC=CCC=CCC=CCCCCCCCC(O)=OformulaC18H30O2inchiInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)inchikeyDTOSIQBPPRVQHS-UHFFFAOYSA-Npolar_surface_area37.3refractivity89.64polarizability34.75rotatable_bond_count13acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::CMs23397Specdb::CMs42275Specdb::CMs155589Specdb::MsMs317893Specdb::MsMs317894Specdb::MsMs317895Specdb::MsMs364501Specdb::MsMs364502Specdb::MsMs364503Specdb::MsMs439480Specdb::MsMs439484Specdb::MsMs2244881Specdb::MsMs2245252Specdb::MsMs2732577Specdb::MsMs2732578Specdb::MsMs2732579Specdb::MsMs2976887Specdb::MsMs2976888Specdb::MsMs2976889HMDB30964#<Reference:0x0000555674125230>Fats and oilsUnknowngeneric