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 19:05:33 UTC |
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Update Date | 2022-03-07 02:54:03 UTC |
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HMDB ID | HMDB0034287 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (S)-10-Nonacosanol |
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Description | (S)-10-Nonacosanol 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, (S)-10-nonacosanol is considered to be a fatty alcohol. Based on a literature review a significant number of articles have been published on (S)-10-Nonacosanol. |
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Structure | CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3 |
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Synonyms | Value | Source |
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10-Nonacosanol | HMDB |
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Chemical Formula | C29H60O |
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Average Molecular Weight | 424.7861 |
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Monoisotopic Molecular Weight | 424.464416542 |
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IUPAC Name | nonacosan-10-ol |
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Traditional Name | nonacosan-10-ol |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC |
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InChI Identifier | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3 |
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InChI Key | CPGCVOVWHCWVTP-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 | |
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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 | 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 IndicesUnderivatizedDerivatized |
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Spectra |
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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 - (S)-10-Nonacosanol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-3978100000-7e6e2286a1869e18a4e4 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (S)-10-Nonacosanol GC-MS (1 TMS) - 70eV, Positive | splash10-00vi-9325500000-e42dc8be1d008fc1dcc8 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (S)-10-Nonacosanol 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 - (S)-10-Nonacosanol 10V, Positive-QTOF | splash10-0a6r-0000900000-5f58f90976d713a479e2 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 20V, Positive-QTOF | splash10-0ar0-4597800000-b27bcb8094ac2ddfa186 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 40V, Positive-QTOF | splash10-00kf-7696000000-fff9ccf606986d4f4e8b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 10V, Negative-QTOF | splash10-00di-0000900000-f69dbf74c748f2ebf88d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 20V, Negative-QTOF | splash10-00di-0010900000-5d546017adec20660432 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 40V, Negative-QTOF | splash10-0a4i-1593200000-ab956b27e8d67afa6e9a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 10V, Negative-QTOF | splash10-00di-0000900000-a2dcead32faa75ab536e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 20V, Negative-QTOF | splash10-00di-0000900000-da0dce26949ef7ee0a9e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 40V, Negative-QTOF | splash10-0aba-0119400000-7b814f1677507a9ecaf6 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 10V, Positive-QTOF | splash10-0a6r-1011900000-a5d0bf47a5de87159a78 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 20V, Positive-QTOF | splash10-0a4i-8034900000-168998c145ff20ff76f3 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (S)-10-Nonacosanol 40V, Positive-QTOF | splash10-0a4l-9000000000-960d71eae16b2f2db2cd | 2021-09-24 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB012625 |
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KNApSAcK ID | C00001261 |
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Chemspider ID | 10752065 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 25240035 |
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PDB ID | Not Available |
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ChEBI ID | 7611 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1587881 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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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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