| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 12:14:48 UTC |
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| Update date | 2018-04-17 12:01:04 UTC |
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| FoodComEx ID | PC001128 |
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| FoodDB Record | FDB021996 |
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| Chemical Information |
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| Name | 2-Methylbutyroylcarnitine |
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| Description | Usually not detected in normal individuals, the elevation of 2-methylbutyrylcarnitine suggests a deficiency of a dehydrogenase specific for isobutyryl-CoA, important in the differential diagnosis of Branched Chain Organic Acidurias by Analysis of Urinary Organic Acids and Acylcarnitines in Plasma or Dried Blood Spots (The Metabolic and Molecular Bases of Inherited Disease, Chapter 93) [HMDB] |
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| CAS Number | 31023-25-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (2-methylbutyryl)carnitine | hmdb | | 2-Methylbutyroylcarnitine | hmdb | | 3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoate | ChEBI | | 3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoic acid | Generator | | L-2-methylbutyrate (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt | hmdb | | Methylbutyroyl-carnitine | HMDB |
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| Chemical Formula | C12H23NO4 |
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| IUPAC name | 3-[(2-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate |
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| InChI Identifier | InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3 |
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| InChI Key | IHCPDBBYTYJYIL-UHFFFAOYSA-N |
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| Isomeric SMILES | CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C |
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| Average Molecular Weight | 245.3153 |
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| Monoisotopic Molecular Weight | 245.162708229 |
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| Chemical Taxonomy |
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| Class | Acylcarnitines |
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| Family | Not Available |
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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 | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | >95% |
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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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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| Not Available |
