1.0 2018-07-17 17:48:42 UTC 2020-03-13 17:36:46 UTC BMDB0062553 BMDB62553 C20:1 c5 C20:1 C5 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. Thus, C20:1 C5 is considered to be a fatty acid lipid molecule. C20:1 C5 is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 5Z-Eicosenoate C20H38O2 310.522 310.287180464 (5Z)-icos-5-enoic acid (5Z)-icos-5-enoic acid [H]\C(CCCCCCCCCCCCCC)=C(/[H])CCCC(O)=O InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15- FPAQLJHSZVFKES-NXVVXOECSA-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 8.48 ALOGPS logs -6.84 ALOGPS logp 7.67 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac (5Z)-icos-5-enoic acid ChemAxon average_mass 310.522 ChemAxon mono_mass 310.287180464 ChemAxon smiles [H]\C(CCCCCCCCCCCCCC)=C(/[H])CCCC(O)=O ChemAxon formula C20H38O2 ChemAxon inchi InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h15-16H,2-14,17-19H2,1H3,(H,21,22)/b16-15- ChemAxon inchikey FPAQLJHSZVFKES-NXVVXOECSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 96.6 ChemAxon polarizability 41.52 ChemAxon rotatable_bond_count 17 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::MsMs 1241674 Specdb::MsMs 1241675 Specdb::MsMs 1241676 Specdb::MsMs 1357081 Specdb::MsMs 1357082 Specdb::MsMs 1357083 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 FDB098380 4471947 5312522 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