Record Information |
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Version | 2.0 |
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Created at | 2022-03-17 20:33:43 UTC |
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Updated at | 2022-03-17 20:33:43 UTC |
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NP-MRD ID | NP0047046 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 28-Hydroxyoctacosanoic acid |
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Description | 28-Hydroxyoctacosanoic acid, also known as omega-hydroxymontanic acid or 28-hydroxymontanate, 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. An omega-hydroxy fatty acid that is octacosanoic acid substituted by a hydroxy group at position 28. 28-Hydroxyoctacosanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 28-Hydroxyoctacosanoic acid has been detected, but not quantified in, potato. This could make 28-hydroxyoctacosanoic acid a potential biomarker for the consumption of these foods. |
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Structure | OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C28H56O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h29H,1-27H2,(H,30,31) |
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Synonyms | Value | Source |
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28-Hydroxymontanic acid | ChEBI | Omega-hydroxymontanic acid | ChEBI | 28-Hydroxymontanate | Generator | Omega-hydroxymontanate | Generator | 28-Hydroxyoctacosanoate | Generator |
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Chemical Formula | C28H56O3 |
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Average Mass | 440.7530 Da |
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Monoisotopic Mass | 440.42295 Da |
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IUPAC Name | 28-hydroxyoctacosanoic acid |
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Traditional Name | 28-hydroxyoctacosanoic acid |
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CAS Registry Number | Not Available |
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SMILES | OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O |
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InChI Identifier | InChI=1S/C28H56O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h29H,1-27H2,(H,30,31) |
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InChI Key | DQDKWDYKDPDWMY-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available |
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Predicted Spectra |
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| Not Available |
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Chemical Shift Submissions |
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| Not Available |
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Species |
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Species of Origin | |
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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
- Hydroxy fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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