| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:27 UTC |
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| Update date | 2017-01-19 02:36:22 UTC |
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| FoodComEx ID | PC000400 |
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| FoodDB Record | FDB022197 |
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| Chemical Information |
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| Name | Hydroxyoctanoic acid |
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| Description | Hydroxyoctanoic acid medium chain substrate of the 2-hydroxy acid oxidases associated with the 3 distinct human 2-hydroxy acid oxidase genes, HAOX1, HAOX2, and HAOX3. (PMID: 10777549) [HMDB] |
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| CAS Number | 617-73-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Hydroxycaprylate | hmdb | | 2-Hydroxycaprylic acid | hmdb | | 2-Hydroxyoctanoate | hmdb | | 2-Hydroxyoctanoic acid | hmdb | | a-Hydroxy-n-caprylate | hmdb | | a-Hydroxy-n-caprylic acid | hmdb | | a-Hydroxycaprylate | hmdb | | a-Hydroxycaprylic acid | hmdb | | a-Hydroxyoctanoate | hmdb | | a-Hydroxyoctanoic acid | hmdb | | alpha-Hydroxy-n-caprylate | hmdb | | alpha-Hydroxy-n-caprylic acid | hmdb | | alpha-Hydroxycaprylate | hmdb | | alpha-Hydroxycaprylic acid | hmdb | | alpha-Hydroxyoctanoate | hmdb | | alpha-Hydroxyoctanoic acid | hmdb | | DL-2-Hydroxycaprylate | hmdb | | DL-2-Hydroxycaprylic acid | hmdb | | DL-2-Hydroxyoctanoate | hmdb | | DL-2-Hydroxyoctanoic acid | hmdb | | Hydroxyoctanoate | hmdb | | Hydroxyoctanoic acid | hmdb |
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| Chemical Formula | C8H16O3 |
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| IUPAC name | 2-hydroxyoctanoic acid |
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| InChI Identifier | InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11) |
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| InChI Key | JKRDADVRIYVCCY-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCC(O)C(O)=O |
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| Average Molecular Weight | 160.2108 |
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| Monoisotopic Molecular Weight | 160.109944378 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
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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 | Medium-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Medium-chain fatty acid
- Hydroxy fatty acid
- Alpha-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- 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 300 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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| AKSci | 7972AF |
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| MetaSci | HMDB0000711 |
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| Sigma-Aldrich | HMDB0000711 |
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