| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 23:30:42 UTC |
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| Updated at | 2024-09-11 23:30:43 UTC |
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| NP-MRD ID | NP0339778 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate |
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| Description | (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate 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. Based on a literature review very few articles have been published on (9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate. |
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| Structure | CCCC=CC(OO)C=CC=CCCCCCCCC([O-])=O InChI=1/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/p-1 |
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| Synonyms | | Value | Source |
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| (9Z,11E,14Z)-(13S)-Hydroperoxyoctadeca-(9,11,14)-trienoic acid | Generator |
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| Chemical Formula | C18H29O4 |
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| Average Mass | 309.4270 Da |
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| Monoisotopic Mass | 309.20713 Da |
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| IUPAC Name | 13-hydroperoxyoctadeca-9,11,14-trienoate |
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| Traditional Name | 13-hydroperoxyoctadeca-9,11,14-trienoate |
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| CAS Registry Number | Not Available |
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| SMILES | CCCC=CC(OO)C=CC=CCCCCCCCC([O-])=O |
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| InChI Identifier | InChI=1/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/p-1 |
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| InChI Key | UKAYSZOBJMGOTG-UHFFFAOYNA-M |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound 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
- Long-chain fatty acid
- Hydroperoxy fatty acid
- Unsaturated fatty acid
- Fatty acid
- Allylic hydroperoxide
- Hydroperoxide
- Peroxol
- Monocarboxylic acid or derivatives
- Alkyl hydroperoxide
- Carboxylic acid
- Carboxylic acid derivative
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic anion
- 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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