Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 00:20:40 UTC |
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Update Date | 2022-03-07 02:56:01 UTC |
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HMDB ID | HMDB0038996 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (Z)-6-Tetradecene-1,3-diyne-5,8-diol |
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Description | (Z)-6-Tetradecene-1,3-diyne-5,8-diol 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. Based on a literature review a small amount of articles have been published on (Z)-6-Tetradecene-1,3-diyne-5,8-diol. |
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Structure | CCCCCCC(O)\C=C/C(O)C#CC#C InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11- |
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Synonyms | Not Available |
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Chemical Formula | C14H20O2 |
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Average Molecular Weight | 220.3074 |
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Monoisotopic Molecular Weight | 220.146329884 |
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IUPAC Name | (6Z)-tetradec-6-en-1,3-diyne-5,8-diol |
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Traditional Name | (6Z)-tetradec-6-en-1,3-diyne-5,8-diol |
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CAS Registry Number | 77769-23-4 |
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SMILES | CCCCCCC(O)\C=C/C(O)C#CC#C |
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InChI Identifier | InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11- |
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InChI Key | AGXXOOILRXZQTH-QXMHVHEDSA-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
- Secondary alcohol
- Acetylide
- Organic oxygen compound
- Hydrocarbon derivative
- 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 | Not Available | Not Available | 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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(Z)-6-Tetradecene-1,3-diyne-5,8-diol,1TMS,isomer #1 | C#CC#CC(O)/C=C\C(CCCCCC)O[Si](C)(C)C | 1857.5 | Semi standard non polar | 33892256 | (Z)-6-Tetradecene-1,3-diyne-5,8-diol,1TMS,isomer #2 | C#CC#CC(/C=C\C(O)CCCCCC)O[Si](C)(C)C | 1938.6 | Semi standard non polar | 33892256 | (Z)-6-Tetradecene-1,3-diyne-5,8-diol,2TMS,isomer #1 | C#CC#CC(/C=C\C(CCCCCC)O[Si](C)(C)C)O[Si](C)(C)C | 1930.3 | Semi standard non polar | 33892256 | (Z)-6-Tetradecene-1,3-diyne-5,8-diol,1TBDMS,isomer #1 | C#CC#CC(O)/C=C\C(CCCCCC)O[Si](C)(C)C(C)(C)C | 2090.8 | Semi standard non polar | 33892256 | (Z)-6-Tetradecene-1,3-diyne-5,8-diol,1TBDMS,isomer #2 | C#CC#CC(/C=C\C(O)CCCCCC)O[Si](C)(C)C(C)(C)C | 2150.4 | Semi standard non polar | 33892256 | (Z)-6-Tetradecene-1,3-diyne-5,8-diol,2TBDMS,isomer #1 | C#CC#CC(/C=C\C(CCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2366.6 | Semi standard non polar | 33892256 |
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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)-6-Tetradecene-1,3-diyne-5,8-diol GC-MS (Non-derivatized) - 70eV, Positive | splash10-000i-9810000000-d69ddaaf1529ee4fe482 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol GC-MS (2 TMS) - 70eV, Positive | splash10-004r-9132000000-6796e1aa0cadc6857ec2 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 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)-6-Tetradecene-1,3-diyne-5,8-diol 10V, Positive-QTOF | splash10-0uk9-0290000000-95fbc7ff63422baec8cb | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 20V, Positive-QTOF | splash10-0zmr-7950000000-f41f8bfb32dd866c2a50 | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 40V, Positive-QTOF | splash10-052f-9200000000-cee7537d10827d0a8eaa | 2016-08-02 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 10V, Negative-QTOF | splash10-014i-1190000000-106265424eaa338cda0d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 20V, Negative-QTOF | splash10-014i-6690000000-3983fa928394f9815126 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 40V, Negative-QTOF | splash10-004j-9500000000-44e471b1701a0b527dc6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 10V, Positive-QTOF | splash10-0fe0-3940000000-afe36e1d0002fa230db9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 20V, Positive-QTOF | splash10-000i-9300000000-0a74b2601c8860b421ae | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 40V, Positive-QTOF | splash10-0059-9200000000-598cce176aa0f071dc63 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 10V, Negative-QTOF | splash10-014i-0090000000-24bb440bb202cd62f600 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 20V, Negative-QTOF | splash10-014i-5960000000-0b9a47c66e2094c38f6b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (Z)-6-Tetradecene-1,3-diyne-5,8-diol 40V, Negative-QTOF | splash10-0a4i-9300000000-97e99dd78ae2d2fa05df | 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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