Record Information |
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Version | 2.0 |
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Creation Date | 2015-07-03 13:39:21 -0600 |
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Update Date | 2015-09-17 15:42:00 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 2-Iminobutanoate |
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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). |
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Structure | |
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Synonyms: | - 2-Iminobutanoate
- 2-Iminobutanoate zwitterion
- 2-Iminobutanoic acid
- 2-Iminobutanoic acid zwitterion
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Chemical Formula: | C4H6NO2 |
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Weight: | Average: 100.098 Monoisotopic: 100.040402017 |
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InChI Key: | WRBRCYPPGUCRHW-UHFFFAOYSA-M |
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InChI: | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h5H,2H2,1H3,(H,6,7)/p-1 |
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CAS number: | Not Available |
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IUPAC Name: | 2-iminobutanoic acid |
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Traditional IUPAC Name: | 2-iminobutanoic acid |
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SMILES: | CCC(=N)C([O-])=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms). |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Fatty acids and conjugates |
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Alternative Parents | |
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Substituents | - Fatty acid
- Ketimine
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State: | Not Available |
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Charge: | 0 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | |
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KEGG Pathways: | - Glycine, serine and threonine metabolism ec00260
- Metabolic pathways eco01100
- Propanoate metabolism ec00640
- Valine, leucine and isoleucine biosynthesis ec00290
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | Not Available |
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | Resource | Link |
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CHEBI ID | 76545 | HMDB ID | Not Available | Pubchem Compound ID | 18454345 | Kegg ID | C20905 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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