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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 | PAMDB110010 |
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Identification |
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| Name: |
muconolactone |
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| Description: | A monocarboxylic acid anion that is the conjugate base of 5-oxo-2,5-dihydro-2-furylacetic acid, formed via deprotonation of the carboxy group; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
(+)-4-hydroxy-4-carboxymethylisocrotonolactone
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2-oxo-2,5-dihydrofuran-5-acetate
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2,5-dihydro-5-oxofuran-2-acetate
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5-oxo-2,5-dihydrofuran-2-acetate
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4-carboxymethyl-4-hydroxyisocrotonolactone
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Chemical Formula: |
C6H5O4
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| Average Molecular Weight: |
141.1 |
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| Monoisotopic Molecular
Weight: |
142.026608681 |
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| InChI Key: |
HPEKPJGPWNSAAV-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | (5-oxo-2,5-dihydrofuran-2-yl)acetate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(=O)(CC1(C=CC(=O)O1))[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Lactone
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Organic anion
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
- monocarboxylic acid anion (CHEBI:58372)
- a small molecule (CPD-741)
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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: |
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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