1.0 2010-04-08 22:04:58 UTC 2019-11-26 02:56:30 UTC FDB001464 Isoketocamphoric acid Isoketocamphoric acid, also known as isoketocamphate, 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. Isoketocamphoric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Isoketocamphoric acid can be found in common sage, which makes isoketocamphoric acid a potential biomarker for the consumption of this food product. C10H16O5 216.231 216.099773622 3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid 3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid CC(=O)C(C)(C)C(CC(O)=O)CC(O)=O InChI=1S/C10H16O5/c1-6(11)10(2,3)7(4-8(12)13)5-9(14)15/h7H,4-5H2,1-3H3,(H,12,13)(H,14,15) WLXCRBOZJKAXCC-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 acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Ketones Methyl-branched fatty acids Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Ketone Medium-chain fatty acid Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound logp 0.75 ALOGPS logs -1.69 ALOGPS solubility 4.40e+00 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 3-(2-methyl-3-oxobutan-2-yl)pentanedioic acid ChemAxon average_mass 216.231 ChemAxon mono_mass 216.099773622 ChemAxon smiles CC(=O)C(C)(C)C(CC(O)=O)CC(O)=O ChemAxon formula C10H16O5 ChemAxon inchi InChI=1S/C10H16O5/c1-6(11)10(2,3)7(4-8(12)13)5-9(14)15/h7H,4-5H2,1-3H3,(H,12,13)(H,14,15) ChemAxon inchikey WLXCRBOZJKAXCC-UHFFFAOYSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 51.58 ChemAxon polarizability 21.07 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78363 Specdb::MsMs 78364 Specdb::MsMs 78365 Specdb::MsMs 138705 Specdb::MsMs 138706 Specdb::MsMs 138707 Specdb::MsMs 3597454 Specdb::MsMs 3597455 Specdb::MsMs 3597456 Specdb::MsMs 3597457 Specdb::MsMs 3597458 Specdb::MsMs 3597459 Common sage Type 1 specific Salvia officinalis 38868