Record Information |
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Version | 2.0 |
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Created at | 2022-04-27 20:52:14 UTC |
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Updated at | 2022-04-27 20:52:14 UTC |
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NP-MRD ID | NP0050307 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-cis-9,10-Epoxystearic acid |
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Description | (9S,10R)-epoxyoctadecanoic acid, also known as (9S,10R)-epoxystearate, belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (-)-cis-9,10-Epoxystearic acid is found in Fusarium oxysporum and Shorea robusta. Based on a literature review very few articles have been published on (9S,10R)-epoxyoctadecanoic acid. |
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Structure | CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(O)=O InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1 |
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Synonyms | Value | Source |
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(9S,10R)-Epoxystearic acid | ChEBI | (9S,10R)-Epoxystearate | Generator | (9S,10R)-Epoxyoctadecanoate | Generator |
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Chemical Formula | C18H34O3 |
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Average Mass | 298.4670 Da |
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Monoisotopic Mass | 298.25079 Da |
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IUPAC Name | 8-[(2S,3R)-3-octyloxiran-2-yl]octanoic acid |
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Traditional Name | 9S,10R-epoxy-stearic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(O)=O |
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InChI Identifier | InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1 |
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InChI Key | IMYZYCNQZDBZBQ-SJORKVTESA-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 lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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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 | Lineolic acids and derivatives |
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Direct Parent | Lineolic acids and derivatives |
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Alternative Parents | |
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Substituents | - Octadecanoid
- Medium-chain fatty acid
- Epoxy fatty acid
- Heterocyclic fatty acid
- Fatty acid
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Oxirane
- Ether
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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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