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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 | PAMDB110080 |
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Identification |
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| Name: |
2,5-dioxopentanoate |
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| Description: | The conjugate base of 2,5-dioxopentanoic acid; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
2-ketoglutarate semialdehyde
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2-oxoglutarate semialdehyde
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α-ketoglutarate semialdehyde
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Chemical Formula: |
C5H5O4
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| Average Molecular Weight: |
130.026608681 |
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| Monoisotopic Molecular
Weight: |
130.026608681 |
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| InChI Key: |
VHKNBDIQDAXGBL-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2,5-dioxopentanoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | [CH](=O)CCC(C([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 short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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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 | Short-chain keto acids and derivatives |
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Direct Parent |
Short-chain keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Short-chain keto acid
- Alpha-keto acid
- Alpha-hydrogen aldehyde
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- dioxo monocarboxylic acid anion (CHEBI:58136)
- a small molecule (CPD-654)
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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: |
Not Available |
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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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