1.02020-04-17 19:15:05 UTC2020-11-18 16:39:27 UTCCDB005157(S)-3-Hydroxyisobutyric acid(S)-3-Hydroxyisobutyric acid, also known as (S)-3-hydroxy-2-methylpropanoate or 3-hydroxy-isobutyrate, belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom (S)-3-Hydroxyisobutyric acid is an extremely weak basic (essentially neutral) compound (based on its pKa) (S)-3-Hydroxyisobutyric acid exists in all living species, ranging from bacteria to humans. The severity of this disease varies from case to case (S)-3-hydroxyisobutyric acid can be converted into (S)-methylmalonic acid semialdehyde through its interaction with the enzymes 3-hydroxyisobutyrate dehydrogenase, mitochondrial and enoyl-CoA hydratase, mitochondrial. In humans, (S)-3-hydroxyisobutyric acid is involved in the metabolic disorder called the 2-methyl-3-hydroxybutyryl-coa dehydrogenase deficiency pathway (S)-3-Hydroxyisobutyric acid is an intermediate in the metabolic pathways of L-valine and L-thymine amino acids. The deficient enzyme in 3HiB-uria remains unclear (S)-3-Hydroxyisobutyric acid is a potentially toxic compound (S)-3-Hydroxyisobutyric acid, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis, colorectal cancer, and diabetes mellitus type 2; (S)-3-hydroxyisobutyric acid has also been linked to the inborn metabolic disorder 3-hydroxyisobutyric aciduria. Patients with 3-hydroxyisobutyric aciduria excrete a significant amount of (S)-3-Hydroxyisobutyric acid not only during the acute stage but also when stable. (S)-3-Hydroxyisobutyric acid is expected to be in Cannabis as all living plants are known to produce and metabolize it.(S)-3-Hydroxy-2-methylpropanoic acid(S)-3-Hydroxy-2-methylpropionic acid(S)-3-Hydroxy-2-methylpropanoate(S)-3-Hydroxy-2-methylpropionate(S)-3-Hydroxyisobutyrate2-Methyl-L-(+)-hydracrylate2-Methyl-L-(+)-hydracrylic acid3-Hydroxy(iso)butyric acid3-Hydroxy-2-methyl-(S)-propanoate3-Hydroxy-2-methyl-(S)-propanoic acid3-Hydroxy-2-methylpropanoate3-Hydroxy-2-methylpropanoic acid3-Hydroxy-isobutyrate3-Hydroxyisobutyrate3-Hydroxyisobutyric acid(2S)-3-Hydroxy-2-methylpropanoic acid(2S)-3-Hydroxy-2-methylpropionic acid(S)-beta-Hydroxyisobutyric acid(S)-Β-hydroxyisobutyric acid(±)-3-hydroxy-2-methylpropanoic acid(±)-3-hydroxy-2-methylpropionic acid2-(Hydroxymethyl)propanoic acid2-(Hydroxymethyl)propionic acid2-Methyl-3-hydroxypropanoic acid2-Methyl-3-hydroxypropionic acid3-HIBA3-Hydroxy-2-methylpropionic acidDL-3-Hydroxyisobutyric acidL-(+)-beta-Hydroxyisobutyric acidL-(+)-Β-hydroxyisobutyric acidbeta-Hydroxyisobutyric acidΒ-hydroxyisobutyric acid3-Hydroxy-2-isobutyrate3-Hydroxy-2-isobutyric acid(S)-3-Hydroxyisobutyric acidC4H8O3104.1104.0473(2S)-3-hydroxy-2-methylpropanoic acid(S)-3-hydroxyisobutyric acid2068-83-9C[C@@H](CO)C(O)=OInChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1DBXBTMSZEOQQDU-VKHMYHEASA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.Beta hydroxy acids and derivativesOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesBeta hydroxy acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesPrimary alcoholsAlcoholAliphatic acyclic compoundBeta-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPrimary alcohol3-hydroxyisobutyric acidlogp-0.47logs0.74logp-0.26pka_strongest_acidic4.37pka_strongest_basic-2.7iupac(2S)-3-hydroxy-2-methylpropanoic acidaverage_mass104.1mono_mass104.0473smilesC[C@@H](CO)C(O)=OformulaC4H8O3inchiInChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1inchikeyDBXBTMSZEOQQDU-VKHMYHEASA-Npolar_surface_area57.53refractivity23.62polarizability9.98rotatable_bond_count2acceptor_count3donor_count2physiological_charge-1formal_charge0number_of_rings0bioavailability1rule_of_fiveYesghose_filterYesveber_ruleYesmddr_like_ruleYes389707C06001FDB02187744087337373CPD-1217537034483