| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:25:54 -0600 |
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| Update Date | 2015-06-03 17:19:15 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | 3-Hydroxy-3-methyl-2-oxobutanoic acid |
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| Description | 3-hydroxy-3-methyl-2-oxobutanoic acid belongs to the class of Branched Fatty Acids. These are fatty acids containing a branched chain. (inferred from compound structure)α-Acetolactic acid (α-acetolactate) is a precursor in the biosynthesis of the branched chain amino acids valine and leucine. α-Acetolactic acid is produced from two molecules of pyruvic acid by acetolactate synthase. α-Acetolactic acid can also be decarboxylated by alpha-acetolactate decarboxylase to produce acetoin. (WikiPedia) |
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| Structure | |
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| Synonyms: | - 2-Oxo-3-hydroxyisovalerate
- 2-Oxo-3-hydroxyisovaleric acid
- 3-Hydroxy-3-methyl-2-oxo-butanoate
- 3-Hydroxy-3-methyl-2-oxo-butanoic acid
- 3-Hydroxy-3-methyl-2-oxobutanoate
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| Chemical Formula: | C5H8O4 |
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| Weight: | Average: 132.1146
Monoisotopic: 132.042258744 |
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| InChI Key: | DNOPJXBPONYBLB-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8) |
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| CAS number: | Not Available |
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| IUPAC Name: | 3-hydroxy-3-methyl-2-oxobutanoic acid |
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| Traditional IUPAC Name: | 2-oxo-3-hydroxyisovaleric acid |
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| SMILES: | CC(C)(O)C(=O)C(O)=O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Keto acids and derivatives |
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| Sub Class | Short-chain keto acids and derivatives |
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| Direct Parent | Short-chain keto acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Branched fatty acid
- Hydroxy fatty acid
- Short-chain keto acid
- Methyl-branched fatty acid
- Alpha-keto acid
- Acyloin
- Fatty acyl
- Tertiary alcohol
- Alpha-hydroxy ketone
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- 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: | -1 |
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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: | | Secondary Metabolites: Valine and I-leucine biosynthesis from pyruvate | PW000978 |    |
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| KEGG Pathways: | - 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: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
- Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
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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: | |
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