1.0 2010-04-08 22:07:29 UTC 2025-11-18 23:04:14 UTC FDB007163 Hexadeca-7,10,13-trienoic acid Hexadeca-7,10,13-trienoic 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. Hexadeca-7,10,13-trienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadeca-7,10,13-trienoic acid can be found in spinach, which makes hexadeca-7,10,13-trienoic acid a potential biomarker for the consumption of this food product. C16H26O2 250.382 250.193280077 hexadeca-7,10,13-trienoic acid 7,10,13-hexadecatrienoic acid CCC=CCC=CCC=CCCCCCC(O)=O InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18) KBGYPXOSNDMZRV-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 5.80 ALOGPS logs -5.30 ALOGPS solubility 1.26e-03 g/l ALOGPS logp 5.17 ChemAxon pka_strongest_acidic 4.96 ChemAxon iupac hexadeca-7,10,13-trienoic acid ChemAxon average_mass 250.382 ChemAxon mono_mass 250.193280077 ChemAxon smiles CCC=CCC=CCC=CCCCCCC(O)=O ChemAxon formula C16H26O2 ChemAxon inchi InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18) ChemAxon inchikey KBGYPXOSNDMZRV-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 80.43 ChemAxon polarizability 30.54 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1089889 Specdb::MsMs 99081 Specdb::MsMs 99082 Specdb::MsMs 99083 Specdb::MsMs 164163 Specdb::MsMs 164164 Specdb::MsMs 164165 Specdb::MsMs 3603752 Specdb::MsMs 3603753 Specdb::MsMs 3603754 Specdb::MsMs 3603755 Specdb::MsMs 3603756 Specdb::MsMs 3603757 Spinach Type 1 specific Spinacia oleracea 3562