Record Information |
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Version | 2.0 |
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Creation Date | 2012-10-10 12:13:24 -0600 |
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Update Date | 2015-06-03 17:25:46 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | (E)-3-(Methoxycarbonyl)pent-2-enedioate |
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Description | (E)-3-(Methoxycarbonyl)pent-2-enedioate is an intermediate in the synthesis of S-adenosyl-homocysteine. It is a substrate for the enzyme trans-aconitate 2-methyltransferase which catalyzes the following reaction: S-adenosyl-L-methionine + trans-aconitate = S-adenosyl-L-homocysteine + (E)-3-(methoxycarbonyl)pent-2-enedioate. |
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Structure | |
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Synonyms: | - (2E)-3-(Methoxycarbonyl)-2-pentenedioate
- (2E)-3-(Methoxycarbonyl)-2-pentenedioic acid
- (e)-3-(Methoxycarbonyl)pent-2-enedioic acid
- (e)-3-Methoxycarbonylpent-2-enedioate
- (E)-3-methoxycarbonylpent-2-enedioic acid
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Chemical Formula: | C7H8O6 |
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Weight: | Average: 188.1348 Monoisotopic: 188.032087988 |
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InChI Key: | BRYKYSQCLNCYQW-DUXPYHPUSA-N |
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InChI: | InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+ |
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CAS number: | Not Available |
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IUPAC Name: | (2E)-3-(methoxycarbonyl)pent-2-enedioic acid |
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Traditional IUPAC Name: | (2E)-3-(methoxycarbonyl)pent-2-enedioic acid |
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SMILES: | COC(=O)C(\CC(O)=O)=C\C(O)=O |
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Chemical Taxonomy |
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Description | 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
- Fatty acid ester
- Fatty acyl
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Carboxylic acid ester
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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: | Not Available |
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Charge: | -2 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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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: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | Resource | Link |
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CHEBI ID | 15663 | HMDB ID | Not Available | Pubchem Compound ID | 5281931 | Kegg ID | C11514 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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