| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:07:02 UTC |
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| Update date | 2019-11-26 03:01:01 UTC |
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| Primary ID | FDB006219 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 1-Pentadecanol |
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| Description | Pentadecanol is a C-15 fatty alcohol
Very long chain fatty alcohols (VLCFA), obtained from plant waxes and beeswax have been reported to lower plasma cholesterol in humans. They can be found in unrefined cereal grains, beeswax, and many plant-derived foods. Reports suggest that 5?20 mg per day of mixed C24?C34 alcohols, including octacosanol and triacontanol, lower low-density lipoprotein (LDL) cholesterol by 21%?29% and raise high-density lipoprotein cholesterol by 8%?15%. Wax esters are hydrolyzed by a bile salt?dependent pancreatic carboxyl esterase, releasing long chain alcohols and fatty acids that are absorbed in the gastrointestinal tract. Studies of fatty alcohol metabolism in fibroblasts suggest that very long chain fatty alcohols, fatty aldehydes, and fatty acids are reversibly inter-converted in a fatty alcohol cycle. The metabolism of these compounds is impaired in several inherited human peroxisomal disorders, including adrenoleukodystrophy and Sj?gren-Larsson syndrome. [HMDB]. |
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| CAS Number | 629-76-5 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C15H32O |
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| IUPAC name | pentadecan-1-ol |
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| InChI Identifier | InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3 |
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| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCCO |
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| Average Molecular Weight | 228.414 |
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| Monoisotopic Molecular Weight | 228.245315646 |
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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 | |
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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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| GC-MS | 1-Pentadecanol, 1 TMS, GC-MS Spectrum | splash10-000i-4390000000-c990154497fc4edd1c8c | Spectrum | | GC-MS | 1-Pentadecanol, non-derivatized, GC-MS Spectrum | splash10-052f-9000000000-71c3524a7341cdcd7eb6 | Spectrum | | GC-MS | 1-Pentadecanol, non-derivatized, GC-MS Spectrum | splash10-0a59-9100000000-24988e5c47c70540f957 | Spectrum | | GC-MS | 1-Pentadecanol, non-derivatized, GC-MS Spectrum | splash10-000i-4390000000-c990154497fc4edd1c8c | Spectrum | | Predicted GC-MS | 1-Pentadecanol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0563-7900000000-f382fe4d6fcdf2765fa5 | Spectrum | | Predicted GC-MS | 1-Pentadecanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dr-9640000000-1d704b4ecf35fdacef75 | Spectrum | | Predicted GC-MS | 1-Pentadecanol, 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 | splash10-03fr-0190000000-ee611c15179a824c82bb | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-6690000000-74523b8e4abb6fbf271b | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9400000000-97007448b6a7747a324f | 2016-08-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0190000000-852540d8fce73c180534 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-1490000000-a3e7792864f9d4b0e995 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0005-8920000000-03c2eeaad6298ea7cbdd | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-80709c480470aec77e65 | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-d465ffbb4b35c4f2ad65 | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-8950000000-eea3e889061a3d0dcb8f | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-7290000000-c01e646a53d47b9b6313 | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-ff0e347de875baffbcca | 2021-09-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9000000000-cb3a6f5d101555cdce78 | 2021-09-24 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 11891 |
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| ChEMBL ID | CHEMBL26561 |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 12397 |
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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 | HMDB13299 |
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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 | PENTADECAN-1-OL|PENTADECANOL |
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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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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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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 | Not Available |
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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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