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 | PAMDB120303 |
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Identification |
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Name: |
(S)-4-hydroxy-2-oxohexanoate |
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Description: | An optically active form of 4-hydroxy-2-oxohexanoate having 4S-configuration. |
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Structure |
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Synonyms: | - (4S)-4-hydroxy-2-ketohexanoate
- (S)-4-hydroxy-2-ketohexanoate
- (S)-4-hydroxy-2-oxohexanoate
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Chemical Formula: |
C6H9O4 |
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Average Molecular Weight: |
145.135 |
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Monoisotopic Molecular
Weight: |
146.0579 |
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InChI Key: |
ALFQPWXBAWHVDP-BYPYZUCNSA-M |
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InChI: | InChI=1S/C6H10O4/c1-2-4(7)3-5(8)6(9)10/h4,7H,2-3H2,1H3,(H,9,10)/p-1/t4-/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | (4S)-4-hydroxy-2-oxohexanoate |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | CCC(O)CC(=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 medium-chain keto acids and derivatives. These are keto 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 |
Keto acids and derivatives |
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Sub Class | Medium-chain keto acids and derivatives |
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Direct Parent |
Medium-chain keto acids and derivatives |
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Alternative Parents |
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Substituents |
- Medium-chain keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Secondary alcohol
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic anion
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
- 2-oxo monocarboxylic acid anion, oxo fatty acid anion, medium-chain fatty acid anion, straight-chain saturated fatty acid anion, hydroxy fatty acid anion (CHEBI:53800)
- a small molecule (CPD-13722)
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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: |
Not Available |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
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Spectra |
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Spectra: |
Not Available |
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References |
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References: |
- Baker P, Seah SY (2012)Rational design of stereoselectivity in the class II pyruvate aldolase BphI. Journal of the American Chemical Society 134, Pubmed: 22081904
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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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