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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 | PAMDB110004 |
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Identification |
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| Name: |
2-keto-4-hydroxypimelate |
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| Description: | A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 4-hydroxy-2-oxoheptanedioic acid. |
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Structure |
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| Synonyms: | -
4-hydroxy-2-ketoheptane-1,7-dioate
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2-oxo-4-hydroxyhepta-1,7-dioate
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4-hydroxy-2-oxo-heptanedioate
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4-hydroxy-2-ketopimelate
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Chemical Formula: |
C7H8O6
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| Average Molecular Weight: |
188.14 |
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| Monoisotopic Molecular
Weight: |
190.0477380536 |
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| InChI Key: |
HNOAJOYERZTSNK-UHFFFAOYSA-L |
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| InChI: |
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/p-2 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 4-hydroxy-2-oxoheptanedioate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(CCC(CC(C([O-])=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 ketone
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- 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 |
- dicarboxylic acid dianion (CHEBI:73036)
- a small molecule (CPD-804)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -2 |
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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: |
- Rea D, Fülöp V, Bugg TD, Roper DI (2007)Structure and mechanism of HpcH: a metal ion dependent class II aldolase from the homoprotocatechuate degradation pathway of Escherichia coli. Journal of molecular biology 373, Pubmed: 17881002
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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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