1.02010-04-08 22:06:04 UTC2019-11-26 02:59:46 UTCFDB004049Sterculic acidSterculic acid, also known as 2-octyl-1-cyclopropene-1-octanoic acid or 8-(2-octyl-cycloprop-1-enyl)-octansaeure, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, sterculic acid is considered to be a fatty acid lipid molecule. Sterculic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Sterculic acid can be found in peanut and roselle, which makes sterculic acid a potential biomarker for the consumption of these food products. C19H34O2294.4721294.2558803328-(2-octylcycloprop-1-en-1-yl)octanoic acidsterculic acidCCCCCCCCC1=C(CCCCCCCC(O)=O)C1InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)PQRKPYLNZGDCFH-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.Medium-chain fatty acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAliphatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMedium-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundCarbocyclic fatty acidsCarbocyclic fatty acidsFatty acidscyclopropenyl fatty acidlong-chain fatty acidmonounsaturated fatty acidlogp6.37logs-5.17solubility1.99e-03 g/llogp6.36pka_strongest_acidic4.75iupac8-(2-octylcycloprop-1-en-1-yl)octanoic acidaverage_mass294.4721mono_mass294.255880332smilesCCCCCCCCC1=C(CCCCCCCC(O)=O)C1formulaC19H34O2inchiInChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)inchikeyPQRKPYLNZGDCFH-UHFFFAOYSA-Npolar_surface_area37.3refractivity89.56polarizability38.42rotatable_bond_count15acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::CMs114233Specdb::CMs128238Specdb::CMs983182Specdb::CMs983183Specdb::MsMs81843Specdb::MsMs81844Specdb::MsMs81845Specdb::MsMs143055Specdb::MsMs143056Specdb::MsMs143057PeanutType 1specificArachis hypogaea3818RoselleType 1specificHibiscus sabdariffa183260delta9-desaturase inhibitor867A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.insecticide1040Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.juvabional1058pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.