| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:18 UTC |
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| Update date | 2017-01-19 02:36:10 UTC |
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| FoodComEx ID | PC000012 |
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| FoodDB Record | FDB000571 |
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| Chemical Information |
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| Name | Carnitine |
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| Description | Malonyl-carnitin, also known as d,l-carnitine or carnitine chloride, is a member of the class of compounds known as carnitines. Carnitines are organic compounds containing the quaternary ammonium compound carnitine. Malonyl-carnitin is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Malonyl-carnitin can be synthesized from butyrate. Malonyl-carnitin is also a parent compound for other transformation products, including but not limited to, O-sebacoylcarnitine, O-(4,8-dimethylnonanoyl)carnitine, and O-(11-carboxyundecanoyl)carnitine. Malonyl-carnitin can be found in avocado, which makes malonyl-carnitin a potential biomarker for the consumption of this food product. Malonyl-carnitin can be found primarily in blood. |
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| CAS Number | 461-06-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide inner salt, 9CI | db_source | | 4-Amino-3-hydroxybutanoic acid trimethylbetaine | db_source | | b-Hydroxy-g-butyrotrimethylbetaine | db_source | | Novain | db_source | | Vitamin BT | db_source |
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| Chemical Formula | C7H15NO3 |
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| IUPAC name | 3-hydroxy-4-(trimethylazaniumyl)butanoate |
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| InChI Identifier | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 |
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| InChI Key | PHIQHXFUZVPYII-UHFFFAOYSA-N |
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| Isomeric SMILES | C[N+](C)(C)CC(O)CC([O-])=O |
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| Average Molecular Weight | 161.1989 |
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| Monoisotopic Molecular Weight | 161.105193351 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Quaternary ammonium salts |
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| Direct Parent | Carnitines |
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| Alternative Parents | |
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| Substituents | - Carnitine
- Beta-hydroxy acid
- Short-chain hydroxy acid
- Fatty acid
- Hydroxy acid
- Tetraalkylammonium salt
- 1,2-aminoalcohol
- Carboxylic acid salt
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organooxygen compound
- Organic zwitterion
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Amine
- Alcohol
- 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 g |
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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 |
