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 17:32:06 UTC |
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Update Date | 2022-03-07 02:52:15 UTC |
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HMDB ID | HMDB0029695 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Hexacosanal |
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Description | Hexacosanal, also known as ceraldehyde or N-hexacosan-1-al, belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Thus, hexacosanal is considered to be a fatty aldehyde. Based on a literature review a significant number of articles have been published on Hexacosanal. |
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Structure | CCCCCCCCCCCCCCCCCCCCCCCCCC=O InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3 |
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Synonyms | Value | Source |
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1-Hexacosanal | ChEBI | Ceraldehyde | ChEBI | N-Hexacosan-1-al | ChEBI | N-Hexacosanal | ChEBI |
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Chemical Formula | C26H52O |
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Average Molecular Weight | 380.6905 |
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Monoisotopic Molecular Weight | 380.401816286 |
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IUPAC Name | hexacosanal |
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Traditional Name | cerotoyl |
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CAS Registry Number | 26627-85-0 |
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SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC=O |
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InChI Identifier | InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3 |
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InChI Key | QAXXQMIHMLTJQI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 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 aldehydes |
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Direct Parent | Fatty aldehydes |
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Alternative Parents | |
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Substituents | - Fatty aldehyde
- Alpha-hydrogen aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- 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 | Not Available |
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Role | 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 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 - Hexacosanal GC-MS (Non-derivatized) - 70eV, Positive | splash10-074v-5950000000-0eeda6ae4cfe2538b295 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hexacosanal GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hexacosanal 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 - Hexacosanal 10V, Positive-QTOF | splash10-001i-0009000000-fc4e690ebcb930b0ec8b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 20V, Positive-QTOF | splash10-03ec-5349000000-8435a31523b43c6dcbd6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 40V, Positive-QTOF | splash10-052f-9664000000-6b0bdeea321a3aa23746 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 10V, Negative-QTOF | splash10-004i-0009000000-4ef3a851d7407fc20124 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 20V, Negative-QTOF | splash10-004i-1009000000-d7eb0766fa3f52485e8a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 40V, Negative-QTOF | splash10-0006-9012000000-8120e0e1f3b45c93f124 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 10V, Positive-QTOF | splash10-001i-3009000000-1f2a7146649fbe4e568f | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 20V, Positive-QTOF | splash10-053r-9026000000-29195cba96bad59af56f | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 40V, Positive-QTOF | splash10-0a4l-9000000000-e2418546c4e129fc68c7 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 10V, Negative-QTOF | splash10-004i-0009000000-31beb4d031863a78fe56 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 20V, Negative-QTOF | splash10-004i-0009000000-ee6559bb7db3b744e957 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hexacosanal 40V, Negative-QTOF | splash10-054o-8019000000-a5b7496b65535237d2b3 | 2021-09-25 | 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 | FDB000884 |
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KNApSAcK ID | C00030477 |
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Chemspider ID | 2341518 |
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KEGG Compound ID | Not Available |
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BioCyc ID | CPD-7883 |
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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 | 3084462 |
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PDB ID | Not Available |
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ChEBI ID | 78439 |
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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 | rw1590981 |
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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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