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 20:38:49 UTC |
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Update Date | 2022-03-07 02:54:34 UTC |
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HMDB ID | HMDB0035636 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 4-Hydroxy-6-tetracosanone |
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Description | 4-Hydroxy-6-tetracosanone 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. Based on a literature review a small amount of articles have been published on 4-Hydroxy-6-tetracosanone. |
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Structure | CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h23,25H,3-22H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C24H48O2 |
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Average Molecular Weight | 368.6367 |
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Monoisotopic Molecular Weight | 368.36543078 |
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IUPAC Name | 4-hydroxytetracosan-6-one |
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Traditional Name | 4-hydroxytetracosan-6-one |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC |
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InChI Identifier | InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-23(25)20-4-2/h23,25H,3-22H2,1-2H3 |
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InChI Key | VVFQRCWTWFXTJM-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
- Beta-hydroxy ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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4-Hydroxy-6-tetracosanone,1TMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=O)CC(CCC)O[Si](C)(C)C | 2754.8 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,1TMS,isomer #2 | CCCCCCCCCCCCCCCCCCC(=CC(O)CCC)O[Si](C)(C)C | 2814.8 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,1TMS,isomer #3 | CCCCCCCCCCCCCCCCCC=C(CC(O)CCC)O[Si](C)(C)C | 2880.7 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=CC(CCC)O[Si](C)(C)C)O[Si](C)(C)C | 2873.0 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=CC(CCC)O[Si](C)(C)C)O[Si](C)(C)C | 2786.3 | Standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TMS,isomer #2 | CCCCCCCCCCCCCCCCCC=C(CC(CCC)O[Si](C)(C)C)O[Si](C)(C)C | 2869.8 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TMS,isomer #2 | CCCCCCCCCCCCCCCCCC=C(CC(CCC)O[Si](C)(C)C)O[Si](C)(C)C | 2819.9 | Standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,1TBDMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=O)CC(CCC)O[Si](C)(C)C(C)(C)C | 3036.6 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,1TBDMS,isomer #2 | CCCCCCCCCCCCCCCCCCC(=CC(O)CCC)O[Si](C)(C)C(C)(C)C | 3114.0 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,1TBDMS,isomer #3 | CCCCCCCCCCCCCCCCCC=C(CC(O)CCC)O[Si](C)(C)C(C)(C)C | 3134.4 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TBDMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=CC(CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3395.1 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TBDMS,isomer #1 | CCCCCCCCCCCCCCCCCCC(=CC(CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3089.8 | Standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TBDMS,isomer #2 | CCCCCCCCCCCCCCCCCC=C(CC(CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3356.0 | Semi standard non polar | 33892256 | 4-Hydroxy-6-tetracosanone,2TBDMS,isomer #2 | CCCCCCCCCCCCCCCCCC=C(CC(CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3129.1 | 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 - 4-Hydroxy-6-tetracosanone GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-6932000000-1f287f1f06e5d59398bf | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 4-Hydroxy-6-tetracosanone GC-MS (1 TMS) - 70eV, Positive | splash10-000i-5930100000-4553ffa01280d7dc269b | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 4-Hydroxy-6-tetracosanone 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 - 4-Hydroxy-6-tetracosanone 10V, Positive-QTOF | splash10-0uxr-1019000000-8332650a2aa40529b051 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 20V, Positive-QTOF | splash10-0zgi-6494000000-0ff0c2143a294ce2d0e5 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 40V, Positive-QTOF | splash10-0k96-8790000000-b7ca8c5844e5c3c549fe | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 10V, Negative-QTOF | splash10-014i-0019000000-62587b7b4890d33e7424 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 20V, Negative-QTOF | splash10-00kb-7196000000-c3c8dbb29b6765e4975b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 40V, Negative-QTOF | splash10-0a4l-9030000000-6d01a20aba96e0c89294 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 10V, Positive-QTOF | splash10-0gb9-3009000000-1ed5c9e45529bf254c5d | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 20V, Positive-QTOF | splash10-06ec-9225000000-8cd5762e7e3b4a0acc43 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 40V, Positive-QTOF | splash10-0a4l-9000000000-248c595272af5864ba5c | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 10V, Negative-QTOF | splash10-014i-0009000000-c2aaa4717aaee52c3a73 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 20V, Negative-QTOF | splash10-014j-9156000000-d53095853ecfbd07c0f2 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 4-Hydroxy-6-tetracosanone 40V, Negative-QTOF | splash10-00di-9012000000-0987e7650b02ba759cd9 | 2021-09-24 | 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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