Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:07:27 UTC |
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Update date | 2019-11-26 03:01:29 UTC |
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Primary ID | FDB007106 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Eicosan-1-ol |
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Description | Arachidyl alcohol, also known as 1-eicosanol or eicosyl alcohol, 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, arachidyl alcohol is considered to be a fatty alcohol lipid molecule. Arachidyl alcohol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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CAS Number | 629-96-9 |
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Structure | |
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Synonyms | Synonym | Source |
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Not Available | Not Available |
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Predicted Properties | |
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Chemical Formula | C20H42O |
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IUPAC name | icosan-1-ol |
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InChI Identifier | InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 |
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InChI Key | BTFJIXJJCSYFAL-UHFFFAOYSA-N |
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Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCO |
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Average Molecular Weight | 298.5469 |
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Monoisotopic Molecular Weight | 298.323565966 |
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Classification |
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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
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- 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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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | 66.1 oC | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-0a5c-9100000000-f0f5bfb9ac4264e2cd89 | 2015-03-01 | View Spectrum | GC-MS | Eicosan-1-ol, 1 TMS, GC-MS Spectrum | splash10-0a4i-5409000000-bcc2ca6cbba222bc03ed | Spectrum | GC-MS | Eicosan-1-ol, non-derivatized, GC-MS Spectrum | splash10-0a4i-5409000000-bcc2ca6cbba222bc03ed | Spectrum | Predicted GC-MS | Eicosan-1-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002f-4960000000-fc6270c38051629a7296 | Spectrum | Predicted GC-MS | Eicosan-1-ol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9651000000-0e70ff07652beeafeb17 | Spectrum | Predicted GC-MS | Eicosan-1-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001j-0090000000-08798f344bb713c4c3c7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-3490000000-4bed532a3e1541b9e4d4 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05mo-9750000000-a204caab6e6a6561e0a7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0090000000-d3a8abd3d7e3c54c969f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0090000000-f77972729fcd30226947 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00mp-8790000000-4dd3883951c290d5d68f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0090000000-aa69a3c6bf82a00b7f67 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0090000000-0561f174572b2a014c17 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-3190000000-e1a10905b13110c31e61 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-2090000000-60535299a7d52656e499 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-052b-9150000000-a86012a909a8512a5e17 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9000000000-4117c6db747a712b4c96 | 2021-09-25 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, 100%_DMSO, experimental) | | Spectrum | 1D NMR | 1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25.16 MHz, CDCl3, experimental) | | Spectrum | 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental) | | Spectrum |
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External Links |
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ChemSpider ID | 11898 |
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ChEMBL ID | CHEMBL451717 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 12404 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB11619 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | Not Available |
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Dr. Duke ID | EICOSAN-1-OL|ARACHIDYL-ALCOHOL|EICOSANOL |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | |
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Enzymes | Name | Gene Name | UniProt ID |
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Fatty acyl-CoA reductase 2 | FAR2 | Q96K12 | Acyl-CoA wax alcohol acyltransferase 2 | AWAT2 | Q6E213 | Fatty acyl-CoA reductase 1 | FAR1 | Q8WVX9 | Acyl-CoA wax alcohol acyltransferase 1 | AWAT1 | Q58HT5 |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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