Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 14:32:42 -0600 |
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Update Date | 2015-09-17 16:24:22 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Trans-4-Carboxymethylenebut-2-en-4-olide |
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Description | Trans-4-carboxymethylenebut-2-en-4-olide is a member of the chemical class known as Furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms. |
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Structure | |
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Synonyms: | - (2Z)-(5-oxofuran-2(5H)-ylidene)acetate
- (2Z)-(5-oxofuran-2(5H)-ylidene)acetic acid
- (Z)-5-Oxodelta(2(5H),a)-furanacetate
- (Z)-5-Oxodelta(2(5H),a)-furanacetic acid
- (Z)-5-Oxodelta(2(5H),alpha)-furanacetate
- (Z)-5-Oxodelta(2(5H),alpha)-furanacetic acid
- (Z)-5-Oxodelta(2(5H),α)-furanacetate
- (Z)-5-Oxodelta(2(5H),α)-furanacetic acid
- 4-Carboxymethylenebut-2-en-4-olide
- 5-oxo-(Z)-delta(2(5H),a)-Furanacetate
- 5-oxo-(Z)-delta(2(5H),a)-Furanacetic acid
- 5-Oxo-(Z)-delta(2(5H),alpha)-Furanacetate
- 5-Oxo-(Z)-delta(2(5H),alpha)-Furanacetic acid
- 5-oxo-(Z)-δ(2(5H),a)-Furanacetate
- 5-oxo-(Z)-δ(2(5H),a)-Furanacetic acid
- 5-oxo-(Z)-δ(2(5H),α)-Furanacetate
- 5-oxo-(Z)-δ(2(5H),α)-Furanacetic acid
- Cis-4-Carboxymethylenebut-2-en-4-olide
- Dienelactone
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Chemical Formula: | C6H4O4 |
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Weight: | Average: 140.0936 Monoisotopic: 140.010958616 |
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InChI Key: | AYFXPGXAZMFWNH-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8) |
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CAS number: | 22752-92-7 |
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IUPAC Name: | 2-[(2Z)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid |
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Traditional IUPAC Name: | [(2Z)-5-oxofuran-2-ylidene]acetic acid |
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SMILES: | OC(=O)C=C1OC(=O)C=C1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Dihydrofurans |
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Sub Class | Furanones |
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Direct Parent | Butenolides |
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Alternative Parents | |
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Substituents | - 2-furanone
- Dicarboxylic acid or derivatives
- Enol ester
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Carboxylic acid ester
- Lactone
- Carboxylic acid
- Carboxylic acid derivative
- Oxacycle
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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: | -1 |
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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: | - Microbial metabolism in diverse environments ec01120
- gamma-Hexachlorocyclohexane degradation ec00361
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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: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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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 | 38107 | HMDB ID | Not Available | Pubchem Compound ID | 5280677 | Kegg ID | C12838 | ChemSpider ID | 4444269 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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