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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120137 |
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Identification |
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| Name: |
3-ethylmalate |
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| Description: | Dicarboxylate anion of 3-ethylmalic acid. |
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Structure |
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| Synonyms: | Not Available |
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Chemical Formula: |
C6H8O5 |
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| Average Molecular Weight: |
160.126 |
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| Monoisotopic Molecular
Weight: |
162.05283 |
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| InChI Key: |
JUCRENBZZQKFGK-UHFFFAOYSA-L |
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| InChI: | InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)/p-2 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-ethyl-3-hydroxybutanedioate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCC(C(=O)[O-])C(C([O-])=O)O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
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Kingdom |
Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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Class |
Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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Direct Parent |
Hydroxy fatty acids |
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| Alternative Parents |
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| Substituents |
- Beta-hydroxy acid
- Branched fatty acid
- Hydroxy fatty acid
- Short-chain hydroxy acid
- Methyl-branched fatty acid
- Monosaccharide
- Hydroxy acid
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- dicarboxylic acid dianion (CHEBI:57425)
- a small molecule (CPD-1130)
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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: |
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: |
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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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