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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 | PAMDB110024 |
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Identification |
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| Name: |
2-pyrone-4,6-dicarboxylate |
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| Description: | A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
2-pyrone-4,6-dicarboxylic acid
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α-pyrone-4,6-dicarboxylate
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α-pyrone-4,6-dicarboxylic acid
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2-oxo-2H-pyran-4,6-dicarboxylate
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Chemical Formula: |
C7H2O6
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| Average Molecular Weight: |
182.09 |
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| Monoisotopic Molecular
Weight: |
184.000787861 |
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| InChI Key: |
VRMXCPVFSJVVCA-UHFFFAOYSA-L |
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| InChI: |
InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-oxo-2H-pyran-4,6-dicarboxylate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C1(OC(=CC(=C1)C([O-])=O)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 pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Pyrans |
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| Sub Class | Pyranones and derivatives |
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Direct Parent |
Pyranones and derivatives |
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| Alternative Parents |
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| Substituents |
- Pyranone
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Lactone
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organic anion
- Aromatic heteromonocyclic compound
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| Molecular Framework |
Aromatic heteromonocyclic compounds |
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| External Descriptors |
- dicarboxylic acid dianion (CHEBI:58304)
- a small molecule (CPD-184)
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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: |
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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