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 | PAMDB110170 |
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Identification |
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Name: |
4-fumaryl-acetoacetate |
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Description: | A dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid. |
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Structure |
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Synonyms: | - Fumarylacetoacetone
- 4-Fumarylacetoacetate
- (e)-4,6-dioxo-2-Octenedioate
- (e)-4,6-dioxo-2-Octenedioic acid
- 4-Fumaryl-acetoacetate
- Fumarylacetoacetate
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Chemical Formula: |
C8H6O6
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Average Molecular Weight: |
198.13 |
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Monoisotopic Molecular
Weight: |
200.0320879894 |
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InChI Key: |
GACSIVHAIFQKTC-OWOJBTEDSA-L |
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InChI: |
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1+ |
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CAS
number: |
28613-33-4 |
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IUPAC Name: | (2E)-4,6-dioxooct-2-enedioate |
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Traditional IUPAC Name: |
4-fumarylacetoacetic acid |
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SMILES: | C([O-])(=O)C=CC(=O)CC(=O)CC([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 medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
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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 | Keto acids and derivatives |
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Direct Parent |
Medium-chain keto acids and derivatives |
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Alternative Parents |
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Substituents |
- Medium-chain keto acid
- Beta-keto acid
- 1,3-diketone
- Beta-hydroxy ketone
- Dicarboxylic acid or derivatives
- Unsaturated fatty acid
- 1,3-dicarbonyl compound
- Fatty acyl
- Enone
- Acryloyl-group
- Alpha,beta-unsaturated ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- 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: | -2 |
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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: |
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Spectra |
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Spectra: |
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References |
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References: |
- Jorquera R, Tanguay RM (2001)Fumarylacetoacetate, the metabolite accumulating in hereditary tyrosinemia, activates the ERK pathway and induces mitotic abnormalities and genomic instability. Human molecular genetics 10, Pubmed: 11532983
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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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