| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:40 UTC |
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| Update date | 2017-01-19 02:36:43 UTC |
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| FoodComEx ID | PC000980 |
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| FoodDB Record | FDB022246 |
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| Chemical Information |
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| Name | L-Octanoylcarnitine |
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| Description | L-Octanoylcarnitine is the physiologically active form of octanoylcarnitine. (PMID 11274033)
Octanoylcarnitine is detected in medium-chain acyl-CoA dehydrogenase (MCAD) deficiency . MCAD is characterized by intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels. (OMIM 201450) [HMDB] |
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| CAS Number | 25243-95-2 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (-)-Octanoylcarnitine | hmdb | | L-Carnitine octanoyl ester | hmdb | | L-O-Octanoylcarnitine | hmdb | | L-Octanoyl-L-carnitine | ChEBI | | L-Octanoylcarnitine | hmdb | | O-Octanoyl-(R)-carnitine | ChEBI | | O-Octanoyl-R-carnitine | ChEBI | | Octanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt | hmdb | | Octanoyl-L-carnitine | hmdb | | Octanoylcarnitine | hmdb |
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| Chemical Formula | C15H29NO4 |
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| IUPAC name | (3R)-3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate |
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| InChI Identifier | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1 |
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| InChI Key | CXTATJFJDMJMIY-CYBMUJFWSA-N |
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| Isomeric SMILES | CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C |
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| Average Molecular Weight | 287.3951 |
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| Monoisotopic Molecular Weight | 287.209658421 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. |
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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 acid esters |
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| Direct Parent | Acyl carnitines |
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| Alternative Parents | |
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| Substituents | - Acyl-carnitine
- Dicarboxylic acid or derivatives
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid salt
- Carboxylic acid derivative
- Carboxylic acid
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- 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 30 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 |
