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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 | PAMDB110102 |
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Identification |
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| Name: |
oxalosuccinate |
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| Description: | A tricarboxylic acid trianion that is the conjugate base of oxalosuccinic acid. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C6H3O7
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| Average Molecular Weight: |
187.08 |
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| Monoisotopic Molecular
Weight: |
190.0113525473 |
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| InChI Key: |
UFSCUAXLTRFIDC-UHFFFAOYSA-K |
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| InChI: |
InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3 |
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| CAS
number: |
1948-82-9 |
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| IUPAC Name: | 1-oxopropane-1,2,3-tricarboxylate |
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Traditional IUPAC Name: |
oxalosuccinate |
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| SMILES: | C(C([O-])=O)C(C(C(=O)[O-])=O)C([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Carboxylic 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
- Beta-keto acid
- Alpha-keto acid
- Beta-hydroxy ketone
- Keto acid
- 1,3-dicarbonyl compound
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -3 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | 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: |
- acetyl-CoA assimilationP22-PWY
- TCA cycle VI (obligate autotrophs)PWY-5913
- TCA cycle V (2-oxoglutarate:ferredoxin oxidoreductase)PWY-6969
- TCA cycle III (helicobacter)REDCITCYC
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Takeda, Isao; Iguchi, Takashi. Fermentative production of oxalosuccinic acid from hydrocarbons. Jpn. Tokkyo Koho (1972), 3 pp. |
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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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