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 00:07:40 UTC |
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Update Date | 2022-03-07 02:55:55 UTC |
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HMDB ID | HMDB0038782 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1-Heptadecene-4,6-diyne-3,9-diol |
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Description | 1-Heptadecene-4,6-diyne-3,9-diol belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, 1-heptadecene-4,6-diyne-3,9-diol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on 1-Heptadecene-4,6-diyne-3,9-diol. |
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Structure | CCCCCCCCC(O)CC#CC#CC(O)C=C InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C17H26O2 |
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Average Molecular Weight | 262.3871 |
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Monoisotopic Molecular Weight | 262.193280076 |
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IUPAC Name | heptadec-1-en-4,6-diyne-3,9-diol |
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Traditional Name | heptadec-1-en-4,6-diyne-3,9-diol |
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CAS Registry Number | 77084-19-6 |
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SMILES | CCCCCCCCC(O)CC#CC#CC(O)C=C |
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InChI Identifier | InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3 |
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InChI Key | WNSUMUNACHNURC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 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 | Long-chain fatty alcohols |
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Alternative Parents | |
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Substituents | - Long chain fatty alcohol
- Secondary alcohol
- 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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Not Available | Not Available |
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Physical Properties |
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State | Solid |
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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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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1-Heptadecene-4,6-diyne-3,9-diol,1TMS,isomer #1 | C=CC(O)C#CC#CCC(CCCCCCCC)O[Si](C)(C)C | 2182.9 | Semi standard non polar | 33892256 | 1-Heptadecene-4,6-diyne-3,9-diol,1TMS,isomer #2 | C=CC(C#CC#CCC(O)CCCCCCCC)O[Si](C)(C)C | 2265.7 | Semi standard non polar | 33892256 | 1-Heptadecene-4,6-diyne-3,9-diol,2TMS,isomer #1 | C=CC(C#CC#CCC(CCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C | 2304.2 | Semi standard non polar | 33892256 | 1-Heptadecene-4,6-diyne-3,9-diol,1TBDMS,isomer #1 | C=CC(O)C#CC#CCC(CCCCCCCC)O[Si](C)(C)C(C)(C)C | 2430.2 | Semi standard non polar | 33892256 | 1-Heptadecene-4,6-diyne-3,9-diol,1TBDMS,isomer #2 | C=CC(C#CC#CCC(O)CCCCCCCC)O[Si](C)(C)C(C)(C)C | 2482.5 | Semi standard non polar | 33892256 | 1-Heptadecene-4,6-diyne-3,9-diol,2TBDMS,isomer #1 | C=CC(C#CC#CCC(CCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2743.8 | Semi standard non polar | 33892256 |
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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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