| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:39 UTC |
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| Update date | 2017-01-19 02:36:36 UTC |
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| FoodComEx ID | PC000783 |
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| FoodDB Record | FDB003081 |
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| Chemical Information |
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| Name | Pentacosanoic acid |
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| Description | Isolated from Citrus bergamia (bergamot orange)
Pentacosanoic acid is a saturated fatty acid. Research shows that the degree of demyelination was related to the pentacosanoic acid in a patient with adrenoleukodystrophy (PMID: 4045498). Pentacosanoic acid is found in citrus. |
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| CAS Number | 506-38-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Hyenate | biospider | | Hyenic acid | db_source | | N-pentacosanoate | biospider | | N-pentacosanoic acid | biospider | | Pentacosanoate | biospider |
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| Chemical Formula | C25H50O2 |
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| IUPAC name | pentacosanoic acid |
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| InChI Identifier | InChI=1S/C25H50O2/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/h2-24H2,1H3,(H,26,27) |
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| InChI Key | MWMPEAHGUXCSMY-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 382.6633 |
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| Monoisotopic Molecular Weight | 382.381080844 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 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 acids and conjugates |
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| Direct Parent | Very long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Very long-chain fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 84-85° | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 150 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 8748AL |
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| Cayman Chemical | 15197 |
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| Toronto Research Chemicals | P238193 |
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