Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2022-07-09 02:15:17 UTC |
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Update Date | 2022-07-09 02:15:17 UTC |
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HMDB ID | HMDB0340926 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | (10E,13E)-nonadeca-10,13-dienoic acid |
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Description | 10,13-Nonadecadienoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 10,13-Nonadecadienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | CCCCC\C=C\C\C=C\CCCCCCCCC(O)=O InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+ |
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Synonyms | Value | Source |
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10,13-Nonadecadienoate | Generator |
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Chemical Formula | C19H34O2 |
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Average Molecular Weight | 294.479 |
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Monoisotopic Molecular Weight | 294.255880335 |
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IUPAC Name | (10E,13E)-nonadeca-10,13-dienoic acid |
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Traditional Name | (10E,13E)-nonadeca-10,13-dienoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCC\C=C\C\C=C\CCCCCCCCC(O)=O |
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InChI Identifier | InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+ |
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InChI Key | FLYBGKXSHCVONZ-AVQMFFATSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 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 acids and conjugates |
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Direct Parent | Long-chain fatty acids |
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Alternative Parents | |
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Substituents | - Long-chain fatty acid
- Unsaturated 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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Ontology |
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Physiological effect | Not Available |
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Disposition | Not Available |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2022-08-08 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 10V, Positive-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 20V, Positive-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 40V, Positive-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 10V, Negative-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 20V, Negative-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (10E,13E)-nonadeca-10,13-dienoic acid 40V, Negative-QTOF | Not Available | 2022-08-10 | Wishart Lab | View Spectrum |
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