1.02020-04-17 18:40:45 UTC2020-12-07 19:11:02 UTCCDB004826Oxoadipic acidOxoadipic acid, also known as 2-oxoadipate or a-ketoadipate, belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Oxoadipic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Oxoadipic acid exists in all living species, ranging from bacteria to humans. Within humans, oxoadipic acid participates in a number of enzymatic reactions. In particular, oxoadipic acid and L-glutamic acid can be biosynthesized from aminoadipic acid and oxoglutaric acid through its interaction with the enzyme kynurenine/alpha-aminoadipate aminotransferase, mitochondrial. In addition, oxoadipic acid can be converted into carbon dioxide through the action of the enzyme oxoglutarate dehydrogenase complex. In humans, oxoadipic acid is involved in the metabolic disorder called 2-aminoadipic 2-oxoadipic aciduria. Outside of the human body, Oxoadipic acid has been detected, but not quantified in, pulses. This could make oxoadipic acid a potential biomarker for the consumption of these foods. Oxoadipic acid is a potentially toxic compound. Oxoadipic acid, with regard to humans, has been linked to several inborn metabolic disorders including 2-aminoadipic aciduria, alpha-aminoadipic aciduria, and 2-ketoadipic acidemia. An oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. Oxoadipic acid is expected to be in Cannabis as all living plants are known to produce and metabolize it.2-Oxoadipate2-Oxoadipic acidOxoadipate2-Keto-adipate2-Ketoadipate2-Ketoadipic acid2-oxo-Hexanedioate2-oxo-Hexanedioic acid2-Oxohexanedioate2-Oxohexanedioic acid2-Oxohexanedionic acida-Ketoadipatea-Ketoadipic acida-Oxoadipatea-Oxoadipic acidalpha-Ketoadipatealpha-Ketoadipic acidalpha-Oxoadipatealpha-Oxoadipic acidα-Ketoadipic acidα-Oxoadipic acidC6H8O5160.12160.03722-oxohexanedioic acidoxoadipate3184-35-8OC(=O)CCCC(=O)C(O)=OInChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)FGSBNBBHOZHUBO-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.Medium-chain keto acids and derivativesOrganic compoundsOrganic acids and derivativesKeto acids and derivativesMedium-chain keto acids and derivativesAliphatic acyclic compoundsAlpha-hydroxy ketonesAlpha-keto acids and derivativesCarboxylic acidsDicarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlpha-hydroxy ketoneAlpha-keto acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeDicarboxylic acid or derivativesHydrocarbon derivativeKetoneMedium-chain keto acidOrganic oxideOrganic oxygen compoundOrganooxygen compoundDicarboxylic acidsoxo dicarboxylic acidmelting_point127 °Clogp-0.37logs-0.83logp0.34pka_strongest_acidic2.84pka_strongest_basic-9.7iupac2-oxohexanedioic acidaverage_mass160.12mono_mass160.0372smilesOC(=O)CCCC(=O)C(O)=OformulaC6H8O5inchiInChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)inchikeyFGSBNBBHOZHUBO-UHFFFAOYSA-Npolar_surface_area91.67refractivity33.48polarizability14.16rotatable_bond_count5acceptor_count5donor_count2physiological_charge-2formal_charge0number_of_rings0bioavailability1rule_of_fiveYesghose_filterYesveber_ruleYesmddr_like_ruleYesC0032270FDB0033627115753C000007702K-ADIPATE14852445234