Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:40:58 UTC |
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Update Date | 2023-02-21 17:19:54 UTC |
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HMDB ID | HMDB0031102 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (Z,Z)-3,6-Dodecadien-1-ol |
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Description | (Z,Z)-3,6-Dodecadien-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, (Z,Z)-3,6-dodecadien-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (Z,Z)-3,6-Dodecadien-1-ol. |
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Structure | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6+,10-9+ |
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Synonyms | Not Available |
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Chemical Formula | C12H22O |
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Average Molecular Weight | 182.3025 |
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Monoisotopic Molecular Weight | 182.167065326 |
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IUPAC Name | (3E,6E)-dodeca-3,6-dien-1-ol |
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Traditional Name | (3E,6E)-dodeca-3,6-dien-1-ol |
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CAS Registry Number | 29125-78-8 |
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SMILES | CCCCC\C=C\C\C=C\CCO |
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InChI Identifier | InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6+,10-9+ |
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InChI Key | WVTVMLXNKUWGBH-AVQMFFATSA-N |
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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 | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 34.15 mg/L @ 25 °C (est) | The Good Scents Company Information System | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0zfs-9400000000-441277189600a0f93d5a | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9510000000-2edaaac90d346b0e36af | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 10V, Negative-QTOF | splash10-001i-0900000000-4a5bdf294c3fc6b33bba | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 20V, Negative-QTOF | splash10-001i-1900000000-f5105a38ac3de42bc338 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 40V, Negative-QTOF | splash10-01oy-9600000000-e9933b78ea4eb2f0d068 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 10V, Negative-QTOF | splash10-001i-0900000000-2d87f53c30e614a48654 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 20V, Negative-QTOF | splash10-001i-0900000000-921d2ac8d5eab4c51cc0 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 40V, Negative-QTOF | splash10-014l-9300000000-8988881cf3cf01986d14 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 10V, Positive-QTOF | splash10-0159-1900000000-fc7913d9a2fc974d1adf | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 20V, Positive-QTOF | splash10-0159-8900000000-77c587aef8949f69b774 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 40V, Positive-QTOF | splash10-0f6x-9100000000-781b7b97180766768a1e | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 10V, Positive-QTOF | splash10-05o0-9100000000-622410c76ee164042628 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 20V, Positive-QTOF | splash10-0api-9000000000-e7812cf63fa0db034aa9 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z,Z)-3,6-Dodecadien-1-ol 40V, Positive-QTOF | splash10-05mo-9000000000-72ec2bed1ed848a3ecd0 | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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General References | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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