Showing Metabocard for 2-iminobutanoate (BASm0005956)
| Common Name | 2-iminobutanoate |
|---|---|
| Description | 2-Iminobutanoate is an intermediate in L-isoleucine biosynthesis I pathway in E.coli. It is a product of the spontaneous reaction (2Z)-2-aminobut-2-enoate -> 2-iminobutanoate. It is also the substrate for enzyme threonine dehydratase which catalyzes the reaction reaction 2-iminobutanoate + H+ + H2O -> 2-oxobutanoate + ammonium (BioCyc compound: CPD-16013). |
| Structure | |
| Molecular Formula | C4H6NO2 |
| Average Mass | 100.09800 |
| Monoisotopic Mass | 100.04040 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCC(=[NH2+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)/p-1 |
| InChI Key | WRBRCYPPGUCRHW-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:76545 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |