3-methyl-2-oxobutyrate
3-methyl-2-oxobutyrate (CAS No.: 3715-29-5) is a key metabolic intermediate classified as a branched-chain α-keto acid that functions as a direct precursor in the biosynthesis of pantothenic acid within microbial systems, particularly in Escherichia coli. As an essential substrate in the pantothenate biosynthetic pathway, it is enzymatically converted into downstream intermediates that ultimately contribute to the formation of coenzyme A, a central cofactor involved in numerous biochemical processes including acyl-group transfer and energy metabolism. This compound is widely utilized in biochemical and microbiological research to investigate metabolic flux, pathway regulation, and enzyme function associated with vitamin B5 biosynthesis, as well as to support studies in systems biology and metabolic engineering aimed at optimizing cofactor production. Its role in enzymatic cascades makes it relevant for probing the activity of key biosynthetic enzymes and regulatory nodes within microbial metabolic networks. Although specific inhibitory or activation constants are not typically defined for this endogenous intermediate, experimental applications often employ concentrations in the micromolar to millimolar range depending on the assay design and organism under study. In vitro and cellular models frequently incorporate this compound to elucidate pathway kinetics, assess genetic modifications, and explore metabolic control mechanisms, while its use in engineered microbial strains supports the development of optimized biosynthetic platforms for fundamental and applied research purposes.
| Physical Appearance | Solid |
| Storage | -20°C |
| M.Wt | 138.1 |
| Cas No. | 3715-29-5 |
| Formula | C5H7NaO3 |
| Solubility | insoluble in EtOH; ≥2.49 mg/mL in DMSO with gentle warming and ultrasonic; ≥54.8 mg/mL in H2O |
| Chemical Name | sodium 3-methyl-2-oxobutanoate |
| Canonical SMILES | CC(C(C([O-])=O)=O)C.[Na+] |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |







