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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB000919 |
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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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| Average Molecular Weight: |
132.1146 |
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| Monoisotopic Molecular
Weight: |
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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Taxonomy Description | This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
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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 |
Hydroxy fatty acids |
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| Alternative Parents |
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| Substituents |
- Hydroxy fatty acid
- Methyl-branched fatty acid
- Short-chain keto acid
- Branched fatty acid
- Beta-hydroxy acid
- Keto acid
- Hydroxy acid
- Alpha-keto acid
- Acyloin
- Tertiary alcohol
- Alpha-hydroxy ketone
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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Pathways: |
- Valine, leucine and isoleucine biosynthesis pae00290
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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: |
| Resource | Link |
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| CHEBI ID | 17667 | | HMDB ID | Not Available | | Pubchem Compound ID | 440248 | | Kegg ID | C04181 | | ChemSpider ID | 389229 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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