| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:41 UTC |
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| Update date | 2017-01-19 02:36:43 UTC |
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| FoodComEx ID | PC000989 |
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| FoodDB Record | FDB022213 |
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| Chemical Information |
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| Name | Isobutyryl-L-carnitine |
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| Description | Isobutyryl-L-carnitine is a product of the acyl-CoA dehydrogenases (ACADs), which are a group of mitochondrial enzymes involved in the metabolism of fatty acids or branched-chain amino acids. (OMIM 600301 ) [HMDB] |
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| CAS Number | 25518-49-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-[(2-Methylpropanoyl)oxy]-4-(trimethylammonio)butanoate | ChEBI | | 3-[(2-Methylpropanoyl)oxy]-4-(trimethylammonio)butanoic acid | Generator | | Isobutyryl-L-(-)-carnitine | hmdb | | Isobutyryl-L-carnitine | hmdb | | L-Isobutyric acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt | hmdb |
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| Chemical Formula | C11H21NO4 |
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| IUPAC name | 3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate |
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| InChI Identifier | InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3 |
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| InChI Key | LRCNOZRCYBNMEP-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C |
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| Average Molecular Weight | 231.2887 |
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| Monoisotopic Molecular Weight | 231.147058165 |
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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
- Branched fatty acid
- Dicarboxylic acid or derivatives
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid salt
- Carboxylic acid derivative
- Carboxylic acid
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxygen compound
- Amine
- Organooxygen compound
- Organic salt
- 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 5 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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| Cayman Chemical | 17440 |
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