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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 | PAMDB120432 |
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Identification |
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| Name: |
3-oxohexanoate |
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| Description: | 3-Oxohexanoic acid is fatty acid formed by the action of Fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. This fatty acid is involved in fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enznymes; beta-ketoacyl -acyl-carrier- protein synthase, fatty-acid Synthase, and beta- ketoacyl -acyl-carrier- protein synthase II. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C6H9O3 |
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| Average Molecular Weight: |
129.135 |
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| Monoisotopic Molecular
Weight: |
130.06299 |
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| InChI Key: |
BDCLDNALSPBWPQ-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)/p-1 |
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| CAS
number: |
4380-91-0 |
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| IUPAC Name: | 3-oxohexanoate |
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Traditional IUPAC Name: |
3-oxohexanoic acid |
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| SMILES: | CCCC(CC([O-])=O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Keto acids and derivatives |
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Direct Parent |
Medium-chain keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Medium-chain keto acid
- Beta-keto acid
- 1,3-dicarbonyl compound
- Beta-hydroxy ketone
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- 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: |
Solid |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | 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: |
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: |
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