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 17:40:03 UTC |
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Update Date | 2023-02-21 17:19:48 UTC |
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HMDB ID | HMDB0030957 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (3Z,6Z)-3,6-Nonadien-1-ol |
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Description | (3Z,6Z)-3,6-Nonadien-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, (3Z,6Z)-3,6-nonadien-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (3Z,6Z)-3,6-Nonadien-1-ol. |
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Structure | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6- |
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Synonyms | |
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Chemical Formula | C9H16O |
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Average Molecular Weight | 140.2227 |
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Monoisotopic Molecular Weight | 140.120115134 |
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IUPAC Name | (3Z,6Z)-nona-3,6-dien-1-ol |
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Traditional Name | (3Z,6Z)-nona-3,6-dien-1-ol |
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CAS Registry Number | 53046-97-2 |
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SMILES | CC\C=C/C\C=C/CCO |
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InChI Identifier | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6- |
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InChI Key | PICGPEBVZGCYBV-CWWKMNTPSA-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 | |
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Ontology |
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Physiological effect | |
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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 | Liquid |
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Experimental Molecular Properties | |
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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 - (3Z,6Z)-3,6-Nonadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0ac0-9200000000-b65e1db62b63052ac3b6 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol GC-MS (1 TMS) - 70eV, Positive | splash10-00di-9500000000-eff97b6551348c7492a7 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (3Z,6Z)-3,6-Nonadien-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 - (3Z,6Z)-3,6-Nonadien-1-ol 10V, Positive-QTOF | splash10-00dl-1900000000-e688309d9354b54abb53 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 20V, Positive-QTOF | splash10-00dl-9800000000-d4f94f23264be40e4807 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 40V, Positive-QTOF | splash10-0ktf-9000000000-fbb2c76b760d3d7a719b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 10V, Negative-QTOF | splash10-000i-0900000000-5f73c315c7f07fdac9bb | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 20V, Negative-QTOF | splash10-000i-1900000000-9db5d50fecb31d231320 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 40V, Negative-QTOF | splash10-0006-9300000000-f07f7b57134901cfd884 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 10V, Positive-QTOF | splash10-05o3-9000000000-4ae2a7a15d1890d6b483 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 20V, Positive-QTOF | splash10-066r-9000000000-b1a550627dca6f5df7b4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 40V, Positive-QTOF | splash10-0159-9000000000-c3ba5b0981bd7ac4b83a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 10V, Negative-QTOF | splash10-000i-0900000000-c458f09e6091931ba80e | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 20V, Negative-QTOF | splash10-059i-0900000000-22a78e87dab5d1198d61 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (3Z,6Z)-3,6-Nonadien-1-ol 40V, Negative-QTOF | splash10-014j-9000000000-08526cb51ba1544b552a | 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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