1.0 2010-04-08 22:06:41 UTC 2025-11-18 22:59:14 UTC FDB005438 Heptadecenoic acid Heptadecenoic acid, also known as heptadecenoate, 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. Heptadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Heptadecenoic acid can be found in a number of food items such as common buckwheat, dandelion, italian sweet red pepper, and black walnut, which makes heptadecenoic acid a potential biomarker for the consumption of these food products. C17H32O2 268.441 268.24023027 heptadec-2-enoic acid heptadec-2-enoic acid CCCCCCCCCCCCCCC=CC(O)=O InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19) GEHPRJRWZDWFBJ-UHFFFAOYSA-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 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 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 oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid logp 7.65 ALOGPS logs -6.32 ALOGPS solubility 1.29e-04 g/l ALOGPS logp 6.7 ChemAxon pka_strongest_acidic 5.03 ChemAxon iupac heptadec-2-enoic acid ChemAxon average_mass 268.441 ChemAxon mono_mass 268.24023027 ChemAxon smiles CCCCCCCCCCCCCCC=CC(O)=O ChemAxon formula C17H32O2 ChemAxon inchi InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19) ChemAxon inchikey GEHPRJRWZDWFBJ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 82.78 ChemAxon polarizability 35.88 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115268 Specdb::CMs 129578 Specdb::CMs 908889 Specdb::CMs 908890 Specdb::MsMs 99912 Specdb::MsMs 99913 Specdb::MsMs 99914 Specdb::MsMs 165135 Specdb::MsMs 165136 Specdb::MsMs 165137 Specdb::MsMs 3438130 Specdb::MsMs 3438131 Specdb::MsMs 3438132 Specdb::MsMs 3438133 Specdb::MsMs 3438134 Specdb::MsMs 3438135 Black elderberry Type 1 specific Sambucus nigra 4202 Black walnut Type 1 specific Juglans nigra 16719 Common buckwheat Type 1 specific Fagopyrum esculentum 3617 Dandelion Type 1 specific Taraxacum officinale 50225 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g