| Record Information |
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| Version | 2.0 |
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| Creation Date | 2012-07-30 14:54:57 -0600 |
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| Update Date | 2015-06-03 17:20:53 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | E-3-Carboxy-2-pentenedioate 6-methyl ester |
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| Description | E-3-carboxy-2-pentenedioate 6-methyl ester is catalyzed by trans-aconitate methyltransferase. The trans-aconitate methyltransferase from the bacterium Escherichia coli catalyzes the monomethyl esterification of trans-aconitate and related compounds. Using two-dimensional (1)H/(13)C nuclear magnetic resonance spectroscopy, we show that the methylation is specific to one of the three carboxyl groups and further demonstrate that the product is the 6-methyl ester of trans-aconitate (E-3-carboxy-2-pentenedioate 6-methyl ester). (PMID 11329290) |
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| Structure | |
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| Synonyms: | - E-3-carboxy-2-pentenedioate 6-methyl ester
- E-3-Carboxy-2-pentenedioic acid 6-methyl ester
- Monomethyl-ester-of-trans-aconitate
- Monomethyl-ester-of-trans-aconitic acid
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| Chemical Formula: | C7H6O6 |
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| Weight: | Average: 186.1189
Monoisotopic: 186.016437924 |
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| InChI Key: | BRYKYSQCLNCYQW-DUXPYHPUSA-L |
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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)/p-2/b4-2+ |
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| CAS number: | Not Available |
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| IUPAC Name: | (2E)-3-(methoxycarbonyl)pent-2-enedioate |
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| Traditional IUPAC Name: | (2E)-3-(methoxycarbonyl)pent-2-enedioate |
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| SMILES: | [H]\C(C([O-])=O)=C(\CC([O-])=O)C(=O)OC |
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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
- Organic anion
- 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: | - Cai, H., Strouse, J., Dumlao, D., Jung, M. E., Clarke, S. (2001). "Distinct reactions catalyzed by bacterial and yeast trans-aconitate methyltransferases." Biochemistry 40:2210-2219. Pubmed: 11329290
- van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
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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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