| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-05-31 14:26:01 -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-5-oxohexanoate |
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| Description | 3-hydroxy-5-oxohexanoate is a member of the chemical class known as Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. It is a substrate for butyryl coenzyme A transferase (EC 2.8.3.8) and it sometimes an associated byproduct of gallic acid degradation. |
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| Structure | |
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| Synonyms: | - 3-Hydroxy-5-ketohexanoate
- 3-Hydroxy-5-ketohexanoic acid
- 3-Hydroxy-5-oxo-Hexanoate
- 3-Hydroxy-5-oxo-Hexanoic acid
- 3-Hydroxy-5-oxohexanoic acid
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| Chemical Formula: | C6H10O4 |
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| Weight: | Average: 146.1412
Monoisotopic: 146.057908808 |
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| InChI Key: | APWDZEIBFNZVND-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10) |
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| CAS number: | 109138-72-9 |
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| IUPAC Name: | 3-hydroxy-5-oxohexanoic acid |
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| Traditional IUPAC Name: | 3-hydroxy-5-oxohexanoic acid |
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| SMILES: | CC(=O)CC(O)CC(O)=O |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
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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 | Medium-chain hydroxy acids and derivatives |
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| Direct Parent | Medium-chain hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Beta-hydroxy ketone
- Secondary alcohol
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Carbonyl group
- Alcohol
- Hydrocarbon derivative
- Organooxygen 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: | |
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| KEGG Pathways: | - 1,4-Dichlorobenzene degradation ec00627
- Microbial metabolism in diverse environments ec01120
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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
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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 | 37032 | | HMDB ID | Not Available | | Pubchem Compound ID | 376 | | Kegg ID | C16272 | | ChemSpider ID | 367 | | Wikipedia ID | Not Available | | BioCyc ID | CPD-19 | | EcoCyc ID | CPD-19 |
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