| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:07 UTC |
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| Update date | 2017-01-19 02:36:26 UTC |
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| FoodComEx ID | PC000514 |
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| FoodDB Record | FDB022718 |
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| Chemical Information |
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| Name | 2-Ketohexanoic acid |
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| Description | 2-Ketohexanoic acid is a potent insulin secretagogue. (PMID 7045091)
2-Ketohexanoic acid directly inhibits the ATP-sensitive K+ channel (KATP channel) in pancreatic beta-cells (stimulated in isolated mouse islets), but it is unknown whether direct KATP channel inhibition contributes to insulin release by 2-ketohexanoic acid and related alpha-keto acid anions, which are generally believed to act via beta-cell metabolism. (PMID 16014804) [HMDB] |
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| CAS Number | 2492-75-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-keto-n-caproate | hmdb | | 2-keto-n-caproic acid | hmdb | | 2-Ketocaproate | hmdb | | 2-ketocaproic acid | hmdb | | 2-Ketohexanoate | hmdb | | 2-Ketohexanoic acid | hmdb | | 2-oxo 6:0 | ChEBI | | 2-oxo C6:0 | ChEBI | | 2-oxo-hexanoate | hmdb | | 2-oxo-hexanoic acid | hmdb | | 2-Oxohexanoate | hmdb | | 2-Oxohexanoic acid | hmdb | | a-Ketocaproate | Generator | | a-Ketocaproic acid | Generator | | a-Ketohexanoate | Generator | | a-Ketohexanoic acid | Generator | | alpha-Ketocaproate | hmdb | | alpha-Ketocaproic acid | hmdb | | alpha-Ketohexanoate | Generator | | alpha-Ketohexanoic acid | ChEBI | | α-ketocaproate | Generator | | α-ketocaproic acid | Generator | | α-ketohexanoate | Generator | | α-ketohexanoic acid | Generator |
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| Chemical Formula | C6H10O3 |
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| IUPAC name | 2-oxohexanoic acid |
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| InChI Identifier | InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9) |
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| InChI Key | XNIHZNNZJHYHLC-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCC(=O)C(O)=O |
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| Average Molecular Weight | 130.1418 |
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| Monoisotopic Molecular Weight | 130.062994186 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds 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 | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Keto acids and derivatives |
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| Sub Class | Medium-chain 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
- Alpha-keto acid
- Alpha-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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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 20 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
