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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 | PAMDB100009 |
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Identification |
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| Name: |
acetylpyruvic acid |
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| Description: | A dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4. |
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Structure |
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| Synonyms: | - 2,4-Dioxopentanoate
- 2,4-dioxovaleric acid
- Acetylpyruvate
- Acetylpyruvic acid
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Chemical Formula: |
C5H6O4 |
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| Average Molecular Weight: |
130.09874 |
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| Monoisotopic Molecular
Weight: |
130.027 |
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| InChI Key: |
UNRQTHVKJQUDDF-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2,4-dioxopentanoic acid |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(=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 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group. |
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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 | Gamma-keto acids and derivatives |
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Direct Parent |
3-Acylpyruvic acids |
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| Alternative Parents |
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| Substituents |
- 3-acylpyruvic acid
- 1,3-diketone
- Short-chain keto acid
- Alpha-keto acid
- 1,3-dicarbonyl compound
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- dioxo monocarboxylic acid, beta-diketone (CHEBI:2424)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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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: |
- Chapman PJ, Ribbons DW. Metabolism of resorcinylic compounds by bacteria:
orcinol pathway in Pseudomonas putida. J Bacteriol. 1976 Mar;125(3):975-84. Pubmed: 1254564
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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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| KEGG COMPOUND | C02132 |
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