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Identification |
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YMDB ID | YMDB01332 |
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Name | Ethyl dodecanoate |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | Ethyl dodecanoate, also known as ethyl laurinate or laate ethyl ester, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review a significant number of articles have been published on Ethyl dodecanoate. |
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Structure | |
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Synonyms | - Dodecanoic acid, ethyl ester
- Ethyl dodecylate
- Ethyl ester dodecanoic acid
- Ethyl laurate
- Ethyl laurinate
- Ethyl n-dodecanoate
- ethyl n-dodecanote
- Lauric acid, ethyl ester
- Dodecanoic acid ethyl ester
- Lauric acid ethyl ester
- Dodecanoate ethyl ester
- Ethyl laurinic acid
- Laate ethyl ester
- Laic acid ethyl ester
- Ethyl dodecanoic acid
- Dodecanoic acid,ethyl ester
- Ethyllaurate
- FEMA 2441
- Lauric acid, ethyl ester (8ci)
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CAS number | 106-33-2 |
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Weight | Average: 228.3709 Monoisotopic: 228.20893014 |
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InChI Key | MMXKVMNBHPAILY-UHFFFAOYSA-N |
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InChI | InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 |
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IUPAC Name | ethyl dodecanoate |
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Traditional IUPAC Name | ethyl laurate |
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Chemical Formula | C14H28O2 |
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SMILES | CCCCCCCCCCCC(=O)OCC |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
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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 | Fatty acid esters |
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Alternative Parents | |
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Substituents | - Fatty acid ester
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | Liquid |
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Charge | 0 |
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Melting point | -10 °C |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | 5.71 [KROP,HB ET AL. (1997)] | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | |
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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 | Not Available |
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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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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000l-9100000000-3c72f0ffdafbe522391e | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000i-9200000000-9c0b8381b214359f116b | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000i-9300000000-53980699cddfb543d2db | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000l-9100000000-3c72f0ffdafbe522391e | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000i-9200000000-9c0b8381b214359f116b | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-000i-9300000000-53980699cddfb543d2db | JSpectraViewer | MoNA | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-004i-9700000000-e60d5951cdca399e94e1 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | JSpectraViewer | LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-004i-0090000000-b9b9ec1ac8becda72ab0 | JSpectraViewer | MoNA | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-1590000000-2d567432d2ca43be4a59 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0564-6920000000-54c134bdee53b5229698 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9200000000-36fccd37359860945ed9 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0059-2790000000-523de103778fd01c8bb1 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-003s-5930000000-43a5c8836eb357352a42 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052e-9400000000-704561cf45a59278197e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0930000000-a29bb77cdf30a39f07fa | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-2910000000-69f6c916b66e68e802b6 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9400000000-66f2c03d796a9bc2e8cf | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-9770000000-61a5087486f983026b33 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-3f808f84f5607a846a1e | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9000000000-de04c2beb589547f4641 | JSpectraViewer | 1D NMR | 1H NMR Spectrum | Not Available | JSpectraViewer | 1D NMR | 13C NMR Spectrum | Not Available | JSpectraViewer |
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References |
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References: | - Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). "A new process for wine production by penetration of yeast in uncrushed frozen grapes." Appl Biochem Biotechnol 162:1109-1121.20151225
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | 87427 | HMDB ID | HMDB0033788 | Pubchem Compound ID | 7799 | Kegg ID | Not Available | ChemSpider ID | 7512 | FOODB ID | FDB011947 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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