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Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2009-07-25 00:20:03 UTC |
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Update Date | 2022-03-07 02:51:28 UTC |
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HMDB ID | HMDB0013113 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1-Undecanol |
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Description | 1-Undecanol, also known as N-undecyl alcohol or undecan-1-ol, 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. Thus, 1-undecanol is considered to be a fatty alcohol lipid molecule. 1-Undecanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. |
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Structure | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 |
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Synonyms | Value | Source |
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Hendecanoic alcohol | ChEBI | N-Hendecylenic alcohol | ChEBI | N-Undecyl alcohol | ChEBI | Undecan-1-ol | ChEBI | Undecyl alcohol | ChEBI | 1-Hendecanol | HMDB | 1-Undecyl alcohol | HMDB | Alcohol c-11 | HMDB | Alcohol C11 | HMDB | C11 Alcohol | HMDB | Decyl carbinol | HMDB | Dlcohol c-11 undecylic | HMDB | Fatty alcohol(C11) | HMDB | Hendecanol | HMDB | Hendecyl alcohol | HMDB | N-Undecan-1-ol | HMDB | N-Undecanol | HMDB | Neodol 1 | HMDB | Neoflex 11 | HMDB | Pri-N-undecyl alcohol | HMDB | Tip-nip | HMDB | UMQ | HMDB | UNA | HMDB | Undecanol-(1) | HMDB |
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Chemical Formula | C11H24O |
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Average Molecular Weight | 172.3077 |
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Monoisotopic Molecular Weight | 172.18271539 |
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IUPAC Name | undecan-1-ol |
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Traditional Name | undecanol |
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CAS Registry Number | 112-42-5 |
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SMILES | CCCCCCCCCCCO |
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InChI Identifier | InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3 |
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InChI Key | KJIOQYGWTQBHNH-UHFFFAOYSA-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
- 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
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Biological location
Source
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Physical Properties |
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State | Liquid |
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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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Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-0a4l-9000000000-7e5203a4c36f0f292fbf | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-0a4l-9000000000-a674e00407a29d9f0246 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-052f-9000000000-20374066c5383835f838 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-0a4l-9000000000-7e5203a4c36f0f292fbf | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-0a4l-9000000000-a674e00407a29d9f0246 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1-Undecanol EI-B (Non-derivatized) | splash10-052f-9000000000-20374066c5383835f838 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Undecanol GC-MS (Non-derivatized) - 70eV, Positive | splash10-01w1-9300000000-637e09ce634220d50bc6 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Undecanol GC-MS (1 TMS) - 70eV, Positive | splash10-0fk9-9310000000-6b216fc35c8f2a25e9c3 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-Undecanol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0a4l-9000000000-a4908a99a95a5a1b998b | 2015-03-01 | Not Available | 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 - 1-Undecanol 10V, Positive-QTOF | splash10-0ab9-0900000000-8ebeeb6969498275eacc | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 20V, Positive-QTOF | splash10-0a4i-4900000000-7c23974882f2ff7bf9b7 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 40V, Positive-QTOF | splash10-052f-9100000000-9777b968953b0fa7040c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 10V, Negative-QTOF | splash10-00di-0900000000-b09a5b215289c958a646 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 20V, Negative-QTOF | splash10-00di-0900000000-e1392129917c2f794c33 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 40V, Negative-QTOF | splash10-0006-9600000000-30f040bbc0f5cc2adcf3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 10V, Negative-QTOF | splash10-00di-0900000000-5ba8abcfca58b4289f2a | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 20V, Negative-QTOF | splash10-00di-0900000000-4be1565d7d285ae7e142 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 40V, Negative-QTOF | splash10-05fu-9300000000-57ab5b37047eedc6f2c7 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 10V, Positive-QTOF | splash10-05fr-9100000000-f1f929d2dcecb1486a99 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 20V, Positive-QTOF | splash10-0a4l-9000000000-f85138510f67712bf1bc | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-Undecanol 40V, Positive-QTOF | splash10-052f-9000000000-b4a14c511d1518a416df | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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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 | FDB002917 |
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KNApSAcK ID | C00019556 |
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Chemspider ID | 7892 |
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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 | Undecanol |
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METLIN ID | Not Available |
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PubChem Compound | 8184 |
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PDB ID | Not Available |
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ChEBI ID | 87499 |
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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 | rw1022111 |
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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 ]
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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