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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 | PAMDB110753 |
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Identification |
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| Name: |
2-hydroxy-4-oxobutane-1,2,4-tricarboxylate |
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| Description: | The tricarboxylate anion of 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
γ-oxalocitramalate
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4-oxalocitramalate
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4-carboxy-4-hydroxy-2-ketoadipate
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4-hydroxy-4-carboxymethyl-2-oxoglutarate
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4-carboxy-4-hydroxy-2-oxoadipate
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Chemical Formula: |
C7H5O8
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| Average Molecular Weight: |
217.11 |
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| Monoisotopic Molecular
Weight: |
220.0219172336 |
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| InChI Key: |
RQMCNDRMPZBEOD-UHFFFAOYSA-K |
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| InChI: |
InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/p-3 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(C(CC(O)(CC(=O)[O-])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 tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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Direct Parent |
Tricarboxylic acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Tricarboxylic acid or derivatives
- Gamma-keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Keto acid
- Tertiary alcohol
- Ketone
- 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 |
- tricarboxylic acid trianion (CHEBI:58075)
- a small molecule (4-OH-4-ACETYL-2-OXOGLUTARATE)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -3 |
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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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