1.0 2010-04-08 22:06:10 UTC 2025-11-18 22:55:45 UTC FDB004291 Octadecenoic acid Octadecenoic acid is also known as octadecenoate. Octadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Octadecenoic acid can be found in a number of food items such as papaya, potato, black walnut, and borage, which makes octadecenoic acid a potential biomarker for the consumption of these food products. 8-octadecenoic Acid cis-8-octadecenoic acid Octadecenoic acid C18H33O2 281.461 281.248603883 (2Z)-octadec-2-enoate (2Z)-octadec-2-enoate [H]\C(CCCCCCCCCCCCCCC)=C(/[H])C([O-])=O InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/b17-16- LKOVPWSSZFDYPG-MSUUIHNZSA-M 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 acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic anions Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic anion Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid logp 8.05 ALOGPS logs -7.06 ALOGPS solubility 2.58e-05 g/l ALOGPS logp 7.14 ChemAxon pka_strongest_acidic 5.03 ChemAxon iupac (2Z)-octadec-2-enoate ChemAxon average_mass 281.461 ChemAxon mono_mass 281.248603883 ChemAxon smiles [H]\C(CCCCCCCCCCCCCCC)=C(/[H])C([O-])=O ChemAxon formula C18H33O2 ChemAxon inchi InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/b17-16- ChemAxon inchikey LKOVPWSSZFDYPG-MSUUIHNZSA-M ChemAxon polar_surface_area 40.13 ChemAxon refractivity 98.22 ChemAxon polarizability 36.97 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 71997 Specdb::MsMs 71998 Specdb::MsMs 71999 Specdb::MsMs 130785 Specdb::MsMs 130786 Specdb::MsMs 130787 25634 Black walnut Type 1 specific Juglans nigra 16719 Borage Type 1 specific Borago officinalis 13363 Corn Type 1 specific Zea mays 4577 Milk (Cow) Type 2 specific Opium poppy Type 1 specific Papaver somniferum 3469 Papaya Type 1 specific Carica papaya 3649 Potato Type 1 specific Solanum tuberosum 4113