1.0 2018-07-17 17:47:11 UTC 2020-04-21 21:38:13 UTC BMDB0062535 BMDB62535 9E-tetradecenoic acid 9E-Tetradecenoic acid, also known as C14:1N-5 or myristelaidic acid, 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. 9E-Tetradecenoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (e)-Tetradec-9-enoic acid 9E-Tetradecenoic acid C14:1N-5 Myristelaidic acid trans-9-Tetradecenoic acid (e)-Tetradec-9-enoate 9E-Tetradecenoate Myristelaidate trans-9-Tetradecenoate (9E)-Tetradecenoate C14H26O2 226.36 226.193280077 (9E)-tetradec-9-enoic acid (9E)-tetradec-9-enoic acid [H]\C(CCCC)=C(\[H])CCCCCCCC(O)=O InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+ YWWVWXASSLXJHU-AATRIKPKSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids 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 Aliphatic acyclic compounds Unsaturated fatty acids logp 5.69 ALOGPS logs -5.00 ALOGPS logp 5.01 ChemAxon pka_strongest_acidic 4.99 ChemAxon iupac (9E)-tetradec-9-enoic acid ChemAxon average_mass 226.36 ChemAxon mono_mass 226.193280077 ChemAxon smiles [H]\C(CCCC)=C(\[H])CCCCCCCC(O)=O ChemAxon formula C14H26O2 ChemAxon inchi InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+ ChemAxon inchikey YWWVWXASSLXJHU-AATRIKPKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 69 ChemAxon polarizability 29.14 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 36099 Specdb::CMs 48810 Specdb::CMs 133829 Specdb::CMs 141563 Specdb::MsMs 909583 Specdb::MsMs 909584 Specdb::MsMs 909585 Specdb::MsMs 956395 Specdb::MsMs 956396 Specdb::MsMs 956397 Specdb::MsMs 2263234 Specdb::MsMs 2263235 Specdb::MsMs 2263236 Specdb::MsMs 3078855 Specdb::MsMs 3078856 Specdb::MsMs 3078857 Milk Pasteurized milk with 3.9% fat, organic, by GC-FID Trimigno A, Munger L, Picone G, Freiburghaus C, Pimentel G, Vionnet N, Pralong F, Capozzi F, Badertscher R, Vergeres G: GC-MS Based Metabolomics and NMR Spectroscopy Investigation of Food Intake Biomarkers for Milk and Cheese in Serum of Healthy Humans. Metabolites. 2018 Mar 23;8(2). pii: metabo8020026. doi: 10.3390/metabo8020026. 29570652 5312402 131381 Trimigno A, Munger L, Picone G, Freiburghaus C, Pimentel G, Vionnet N, Pralong F, Capozzi F, Badertscher R, Vergeres G: GC-MS Based Metabolomics and NMR Spectroscopy Investigation of Food Intake Biomarkers for Milk and Cheese in Serum of Healthy Humans. Metabolites. 2018 Mar 23;8(2). pii: metabo8020026. doi: 10.3390/metabo8020026. 29570652