| Identification |
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| YMDB ID | YMDB01714 |
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| Name | Hotrienol |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | Hotrienol belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Based on a literature review a significant number of articles have been published on Hotrienol. |
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| Structure | |
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| Synonyms | - 3,7-Dimethyl-1,5(e),7-octatrien-3-ol
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| CAS number | 20053-88-7 |
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| Weight | Average: 152.2334
Monoisotopic: 152.120115134 |
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| InChI Key | ZJIQIJIQBTVTDY-VOTSOKGWSA-N |
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| InChI | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+ |
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| IUPAC Name | (5E)-3,7-dimethylocta-1,5,7-trien-3-ol |
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| Traditional IUPAC Name | (5E)-3,7-dimethylocta-1,5,7-trien-3-ol |
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| Chemical Formula | C10H16O |
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| SMILES | CC(=C)\C=C\CC(C)(O)C=C |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Alcohols and polyols |
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| Direct Parent | Tertiary alcohols |
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| Alternative Parents | |
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| Substituents | - Tertiary alcohol
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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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 | |
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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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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-9100000000-48f6fd44a79695955baa | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f79-1900000000-9d73cda5875fdad15d74 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uyr-9600000000-109442969306cd3e60c1 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0gb9-9100000000-8a5faff0129911612197 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-1577a891d80964932a35 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0ue9-1900000000-a97e5624356b7c95c511 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0gb9-9500000000-e427e88be73b0c6a6037 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-053r-9300000000-3f11ed2cfec9d624a826 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-9000000000-e00f799a56a6f176812d | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-004i-9000000000-dee7f3ba3377962e5502 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-e9811d4adb944b79f7b7 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0kur-2900000000-a94ab75dca208ed026d6 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-9500000000-f9da65325dffa3ecc311 | 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: | | Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | HMDB0302398 | | Pubchem Compound ID | 5366264 | | Kegg ID | Not Available | | ChemSpider ID | 4518161 | | FOODB ID | FDB004412 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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