1.0 2020-04-17 18:43:57 UTC 2020-12-07 19:11:07 UTC CDB004857 Ketoleucine Ketoleucine, also known as 2-oxoisocaproate or 2-oxoleucine, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Ketoleucine is an extremely weak basic (essentially neutral) compound (based on its pKa). Ketoleucine exists in all living species, ranging from bacteria to humans. Outside of the human body, Ketoleucine has been detected, but not quantified in, several different foods, such as oriental wheats, nances, corianders, quinces, and soursops. This could make ketoleucine a potential biomarker for the consumption of these foods. Ketoleucine is a potentially toxic compound. Ketoleucine, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis, periodontal probing depth, rheumatoid arthritis, and gout; ketoleucine has also been linked to the inborn metabolic disorder maple syrup urine disease. Ketoleucine is expected to be in Cannabis as all living plants are known to produce and metabolize it. 2-oxo-4-METHYLPENTANOIC ACID 2-Oxoisocaproate 4-Methyl-2-oxopentanoate 4-Methyl-2-oxovaleric acid alpha-Ketoisocaproic acid 2-oxo-4-METHYLPENTANOate 2-Oxoisocaproic acid 4-Methyl-2-oxopentanoic acid 4-Methyl-2-oxovalerate a-Ketoisocaproate a-Ketoisocaproic acid alpha-Ketoisocaproate Α-ketoisocaproate Α-ketoisocaproic acid 2-Keto-4-methylvalerate 2-Keto-4-methylvaleric acid 2-Ketoisocaproate 2-Ketoisocaproic acid 2-oxo-4-Methylvalerate 2-oxo-4-Methylvaleric acid 2-Oxoleucine 4-Methyl-2-oxo-valerate 4-Methyl-2-oxo-valeric acid a-Ketoisocapronate a-Ketoisocapronic acid a-Oxoisocaproate a-Oxoisocaproic acid alpha-Keto-isocaproate alpha-Keto-isocaproic acid alpha-Ketoisocapronate alpha-Ketoisocapronic acid alpha-Oxoisocaproate alpha-Oxoisocaproic acid Ketoisocaproate Ketoisocaproic acid Methyloxovalerate Methyloxovaleric acid Oxoisocaproate Oxoisocaproic acid Keto-leucine C6H10O3 130.14 130.063 4-methyl-2-oxopentanoic acid ketoisocaproate 816-66-0 CC(C)CC(=O)C(O)=O InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) BKAJNAXTPSGJCU-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Short-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Aliphatic acyclic compounds Alpha-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Hydrocarbon derivative Ketone Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Short-chain keto acid 2-oxo monocarboxylic acid water_solubility 32 mg/mL melting_point 8 - 10 °C logp 0.82 ALOGPS logs -1.28 ALOGPS logp 1.5 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac 4-methyl-2-oxopentanoic acid ChemAxon average_mass 130.14 ChemAxon mono_mass 130.063 ChemAxon smiles CC(C)CC(=O)C(O)=O ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) ChemAxon inchikey BKAJNAXTPSGJCU-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 31.77 ChemAxon polarizability 13 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon C00233 DB03229 FDB030510 69 48430 70 2K-4CH3-PENTANOATE C00019677 34334 5663