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Identification |
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YMDB ID | YMDB01801 |
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Name | Undecanol |
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Species | Saccharomyces cerevisiae |
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Strain | Brewer's yeast |
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Description | 1-Undecanol, also known as N-undecyl alcohol or undecan-1-ol, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 1-undecanol is considered to be a fatty alcohol. Based on a literature review a significant number of articles have been published on 1-Undecanol. |
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Structure | |
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Synonyms | - 1-Hendecanol
- 1-Undecanol
- 1-Undecyl alcohol
- 11-Undecanolactone
- Alcohol c-11
- Alcohol C11
- Decyl carbinol
- Dlcohol c-11 undecylic
- Fatty alcohol(C11)
- Hendecanoic alcohol
- Hendecanol
- Hendecyl alcohol
- N-hendecylenic alcohol
- n-Undecan-1-ol
- N-undecanol
- N-undecyl alcohol
- Neodol 1
- Neoflex 11
- Pri-n-undecyl alcohol
- Tip-nip
- UMQ
- UNA
- Undecan-1-ol
- Undecanol-(1)
- undecyl Alcohol
- C11 Alcohol
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CAS number | 112-42-5 |
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Weight | Average: 172.3077 Monoisotopic: 172.18271539 |
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InChI Key | KJIOQYGWTQBHNH-UHFFFAOYSA-N |
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InChI | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 |
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IUPAC Name | undecan-1-ol |
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Traditional IUPAC Name | undecanol |
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Chemical Formula | C11H24O |
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SMILES | CCCCCCCCCCCO |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. |
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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 alcohols |
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Direct Parent | Fatty alcohols |
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Alternative Parents | |
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Substituents | - Fatty alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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 | 19 °C |
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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 | 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) | splash10-0a4l-9000000000-7e5203a4c36f0f292fbf | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0a4l-9000000000-a674e00407a29d9f0246 | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-052f-9000000000-20374066c5383835f838 | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0a4l-9000000000-7e5203a4c36f0f292fbf | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0a4l-9000000000-a674e00407a29d9f0246 | JSpectraViewer | MoNA | GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-052f-9000000000-20374066c5383835f838 | JSpectraViewer | MoNA | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-01w1-9300000000-637e09ce634220d50bc6 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0fk9-9310000000-6b216fc35c8f2a25e9c3 | 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 | splash10-0ab9-0900000000-8ebeeb6969498275eacc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-4900000000-7c23974882f2ff7bf9b7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9100000000-9777b968953b0fa7040c | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-b09a5b215289c958a646 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-e1392129917c2f794c33 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9600000000-30f040bbc0f5cc2adcf3 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-5ba8abcfca58b4289f2a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-4be1565d7d285ae7e142 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fu-9300000000-57ab5b37047eedc6f2c7 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-05fr-9100000000-f1f929d2dcecb1486a99 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4l-9000000000-f85138510f67712bf1bc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9000000000-b4a14c511d1518a416df | JSpectraViewer | MS | Mass Spectrum (Electron Ionization) | splash10-0a4l-9000000000-a4908a99a95a5a1b998b | JSpectraViewer | MoNA | 1D NMR | 13C NMR Spectrum | Not Available | 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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