1.02010-04-08 22:09:33 UTC2019-11-26 03:04:45 UTCFDB01126810-Octadecenoic acid10-octadecenoic acid, also known as isooleic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 10-octadecenoic acid is considered to be a fatty acid lipid molecule. 10-octadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-octadecenoic acid can be found in peanut, which makes 10-octadecenoic acid a potential biomarker for the consumption of this food product. Isooleic acidC18H34O2282.4614282.255880332(10E)-octadec-10-enoic acidtrans-10-octadecenoic acid3386-63-8CCCCCCC\C=C\CCCCCCCCC(O)=OInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+QXJSBBXBKPUZAA-CMDGGOBGSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.Long-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 derivativeLong-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundStraight chain fatty acidUnsaturated fatty acidUnsaturated fatty acidslogp7.67logs-6.36solubility1.23e-04 g/lmelting_point44 oClogp6.78pka_strongest_acidic5.02iupac(10E)-octadec-10-enoic acidaverage_mass282.4614mono_mass282.255880332smilesCCCCCCC\C=C\CCCCCCCCC(O)=OformulaC18H34O2inchiInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/b9-8+inchikeyQXJSBBXBKPUZAA-CMDGGOBGSA-Npolar_surface_area37.3refractivity87.4polarizability37.65rotatable_bond_count15acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::MsMs90564Specdb::MsMs90565Specdb::MsMs90566Specdb::MsMs153750Specdb::MsMs153751Specdb::MsMs153752Specdb::MsMs3599837Specdb::MsMs3599838Specdb::MsMs3599839Specdb::MsMs3599840Specdb::MsMs3599841Specdb::MsMs3599842PeanutType 1specificArachis hypogaea3818