Identification |
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YMDB ID | YMDB01532 |
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Name | Tetradecenoylcarnitine |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | Tetradecenoylcarnitine is a long-chain fatty acid ester of carnitine with 5-tetradecenoic acid (C14:1). Carnitine is used for the transport of fatty acids during beta-oxidation, during what fatty acids are broken down to acetyl-CoA. Acetyl-CoA is then used in the glyoxylate cycle for gluconeogenesis and formation of carbohydrates, or transported to mitochondrion for the generation of metabolic energy through the citric acid cycle. [Biocyc PWY-6111] |
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Structure | |
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Synonyms | - 3-[(5Z)-Tetradec-5-enoyloxy]-4-(trimethylammonio)butanoate
- 3-[(5Z)-Tetradec-5-enoyloxy]-4-(trimethylammonio)butanoic acid
- cis-5-Tetradecenoylcarnitine
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CAS number | 835598-21-5 |
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Weight | Average: 369.5387 Monoisotopic: 369.287908741 |
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InChI Key | NNCBVXBBLABOCB-UHFFFAOYSA-N |
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InChI | InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3 |
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IUPAC Name | 3-[(5Z)-tetradec-5-enoyloxy]-4-(trimethylazaniumyl)butanoate |
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Traditional IUPAC Name | cis-5-tetradecenoylcarnitine |
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Chemical Formula | C21H39NO4 |
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SMILES | CCCCCCCCC=CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C |
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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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Physical Properties |
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State | Solid |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | Not Available |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Not Available |
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SMPDB Reactions | Not Available |
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KEGG Reactions | Not Available |
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Concentrations |
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Intracellular Concentrations | Intracellular Concentration | Substrate | Growth Conditions | Strain | Citation |
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0.3 ± 0.0 µM | YEB media with 0.5 mM glucose | aerobic | Brewer's yeast | Experimentally Determined Not Available | Conversion Details Here |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-9210000000-d55933555203a81af3b0 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fkc-0729000000-b7724178fd672abeda7c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-1900000000-a2f60fad8c99a570c7b0 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-02fx-4900000000-6ae1e898595b8e8b61f5 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0029000000-a5108e2a8a5c949c7942 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0aor-1289000000-351e00d1ad0b6a3015e9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a6u-7590000000-8eeb0dac52aa2c1d6246 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-0009000000-1a5965dc435463ee085f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0079-9005000000-84dcf946c3b41ee8ec83 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000i-9000000000-e9262cbaff8cb4ad0ba6 | JSpectraViewer |
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References |
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References: | Not Available |
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Synthesis Reference: | Not Available |
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External Links: | |
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