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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 | PAMDB110751 |
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Identification |
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| Name: |
3-carboxy-cis,cis-muconate |
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| Description: | Trianion of 3-carboxy-cis,cis-muconic acid arising from deprotonation of all three carboxylic acid functions. |
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Structure |
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| Synonyms: | -
cis,cis-butadiene-1,2,4-tricarboxylate
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β-carboxy-cis,cis-muconate
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Chemical Formula: |
C7H3O6
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| Average Molecular Weight: |
183.1 |
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| Monoisotopic Molecular
Weight: |
186.0164379252 |
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| InChI Key: |
KJOVGYUGXHIVAY-BXTBVDPRSA-K |
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| InChI: |
InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/p-3/b2-1-,4-3+ |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(C=CC(C(=O)[O-])=CC(=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
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- a small molecule (CPD-245)
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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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