Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120538 |
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Identification |
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Name: |
(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate |
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Description: | A hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid. The major species at pH 7.3. |
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Structure |
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Synonyms: | - (4S,5S)-4,5-dihydroxy-2,6-diketohexanoate
- 4-deoxy-L-erythro-hex-5-ulosuronate
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Chemical Formula: |
C6H7O6 |
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Average Molecular Weight: |
175.118 |
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Monoisotopic Molecular
Weight: |
176.03209 |
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InChI Key: |
IMUGYKFHMJLTOU-WVZVXSGGSA-M |
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InChI: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/p-1/t3-,5+/m0/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | C(=O)C(C(CC(C([O-])=O)=O)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 aldehyde
- Beta-hydroxy ketone
- Monosaccharide
- Alpha-hydroxyaldehyde
- 1,2-diol
- Ketone
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aldehyde
- Organooxygen compound
- Organic anion
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
- a small molecule (CPD-37)
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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: |
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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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