1.02010-04-08 22:05:36 UTC2019-11-26 02:58:16 UTCFDB002984(2'E,4'Z,7'Z,8E)-Colnelenic acidProduct of enzymic oxidation of potato lipids. (2'E,4'Z,7'Z,8E)-Colnelenic acid is found in alcoholic beverages and potato.(8e)-9-[(1e,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]-8-nonenoate(8e)-9-[(1e,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]-8-nonenoic acidAcide colneleniqueColnelenic acidC18H28O3292.4131292.203844762(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoic acidcolnelenic acid52591-16-9CC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=OInChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+OYKAXBUWOIRLGF-VMBRNALUSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.Medium-chain fatty acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesStraight chain fatty acidsUnsaturated fatty acidsAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMedium-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundStraight chain fatty acidUnsaturated fatty acidFatty ethersdivinyl ether fatty acidlong-chain fatty acidstraight-chain fatty acidlogp6.04logs-5.50solubility9.19e-04 g/llogp5.2pka_strongest_acidic4.77pka_strongest_basic-5.1iupac(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoic acidaverage_mass292.4131mono_mass292.203844762smilesCC\C=C/C\C=C/C=C/O\C=C\CCCCCCC(O)=OformulaC18H28O3inchiInChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+inchikeyOYKAXBUWOIRLGF-VMBRNALUSA-Npolar_surface_area46.53refractivity90.85polarizability34.56rotatable_bond_count13acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::CMs25108Specdb::CMs42300Specdb::CMs133018Specdb::CMs140752Specdb::MsMs60786Specdb::MsMs60787Specdb::MsMs60788Specdb::MsMs117195Specdb::MsMs117196Specdb::MsMs117197Specdb::MsMs2673784Specdb::MsMs2673785Specdb::MsMs2673786Specdb::MsMs3031781Specdb::MsMs3031782Specdb::MsMs3031783HMDB30996#<Reference:0x000055567494df98>Alcoholic beveragesUnknowngenericPotatoType 1specificSolanum tuberosum4113