Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 09:55:24 -0600 |
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Update Date | 2015-09-13 12:56:05 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 3-Hydroxyisobutyric acid |
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Description | 3-Hydroxyisobutyric acid is a member of the chemical class known as Beta Hydroxy Acids and Derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. 3-Hydroxyisobutyric acid (or 3-hydroxy-2-methylpropanoic acid) is an intermediate in the metabolism of valine. (WikiPedia) |
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Structure | |
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Synonyms: | - (S)-3-Hydroxyisobutyrate
- (S)-3-Hydroxyisobutyric acid
- (S)-b-Hydroxyisobutyrate
- (S)-b-Hydroxyisobutyric acid
- 2-Methyl-L-(+)-Hydracrylate
- 2-Methyl-L-(+)-Hydracrylic acid
- 3-Hydroxy(iso)butyrate
- 3-hydroxy(iso)butyric acid
- 3-Hydroxy-2-methyl-(S)-Propanoate
- 3-Hydroxy-2-methyl-(S)-Propanoic acid
- 3-Hydroxy-2-methylpropanoate
- 3-Hydroxy-2-methylpropanoic acid
- 3-Hydroxy-isobutyrate
- 3-Hydroxy-isobutyric acid
- 3-Hydroxyisobutyrate
- 3-Hydroxyisobutyric acid
- 3-OH-iso-but
- 3-OH-isobutyrate
- 3-OH-Isobutyric acid
- L-(+)-b-Hydroxyisobutyrate
- L-(+)-b-Hydroxyisobutyric acid
- L-(+)-beta-Hydroxyisobutyrate
- L-(+)-beta-Hydroxyisobutyric acid
- L-(+)-β-Hydroxyisobutyrate
- L-(+)-β-Hydroxyisobutyric acid
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Chemical Formula: | C4H8O3 |
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Weight: | Average: 104.1045 Monoisotopic: 104.047344122 |
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InChI Key: | DBXBTMSZEOQQDU-UHFFFAOYSA-N |
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InChI: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) |
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CAS number: | 2068-83-9 |
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IUPAC Name: | 3-hydroxy-2-methylpropanoic acid |
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Traditional IUPAC Name: | 3-hydroxyisobutyric acid |
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SMILES: | CC(CO)C(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Hydroxy acids and derivatives |
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Sub Class | Beta hydroxy acids and derivatives |
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Direct Parent | Beta hydroxy acids and derivatives |
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Alternative Parents | |
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Substituents | - Beta-hydroxy acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- 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: | Solid |
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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: | Not Available |
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KEGG Pathways: | Not Available |
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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
- Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
- van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Download (PDF) |
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Links |
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External Links: | |
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