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 17:40:05 UTC |
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Update Date | 2022-03-07 02:52:46 UTC |
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HMDB ID | HMDB0030965 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 9-Octadecenal |
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Description | 9-Octadecenal belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Thus, 9-octadecenal is considered to be a fatty aldehyde. Based on a literature review a significant number of articles have been published on 9-Octadecenal. |
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Structure | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+ |
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Synonyms | Value | Source |
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Octadecenyl aldehyde | HMDB | Olealdehyde | HMDB |
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Chemical Formula | C18H34O |
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Average Molecular Weight | 266.462 |
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Monoisotopic Molecular Weight | 266.26096571 |
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IUPAC Name | (9E)-octadec-9-enal |
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Traditional Name | (E)-octadec-9-enoyl |
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CAS Registry Number | 5090-41-5 |
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SMILES | CCCCCCCC\C=C\CCCCCCCC=O |
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InChI Identifier | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+ |
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InChI Key | ZENZJGDPWWLORF-MDZDMXLPSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 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 aldehydes |
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Direct Parent | Fatty aldehydes |
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Alternative Parents | |
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Substituents | - Fatty aldehyde
- Alpha-hydrogen aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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 - 9-Octadecenal GC-MS (Non-derivatized) - 70eV, Positive | splash10-0udr-8920000000-75006e302f1637ccf8db | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 9-Octadecenal 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 - 9-Octadecenal 10V, Positive-QTOF | splash10-014i-0190000000-fd370b24a756a65280b6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 20V, Positive-QTOF | splash10-01ba-8890000000-c3a019fd21e8fc3c81c0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 40V, Positive-QTOF | splash10-052f-9720000000-f882d7f954ed44ca45ad | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 10V, Negative-QTOF | splash10-014i-0090000000-c9e20a11be057d32b2ff | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 20V, Negative-QTOF | splash10-014i-1090000000-ae5686f6d9ccecf55b6e | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 40V, Negative-QTOF | splash10-0006-9110000000-f120625cdf598b3fbb25 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 10V, Positive-QTOF | splash10-014i-5490000000-e08ed6c5acfaf0dca8a3 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 20V, Positive-QTOF | splash10-067j-9300000000-9827f31454823a254c70 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 40V, Positive-QTOF | splash10-0a4l-9000000000-35632a8585aaea664aac | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 10V, Negative-QTOF | splash10-014i-0090000000-e2c41c1577170b9e0b38 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 20V, Negative-QTOF | splash10-014i-0090000000-d90f36326ae845ea12c8 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Octadecenal 40V, Negative-QTOF | splash10-05mo-9630000000-342ce8848d0179eb48c5 | 2021-09-22 | Wishart 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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