| Record Information |
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| Version | 1.0 |
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| Creation Date | 2018-08-27 17:30:17 UTC |
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| Update Date | 2020-03-13 17:37:08 UTC |
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| MCDB ID | BMDB0062594 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7Z,14Z-eicosadienoic acid |
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| Description | 7Z,14Z-Eicosadienoic acid, also known as 7z,14z-eicosadienoate, 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. 7Z,14Z-Eicosadienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 7Z,14Z-Eicosadienoate | Generator |
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| Chemical Formula | C20H36O2 |
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| Average Molecular Weight | 308.506 |
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| Monoisotopic Molecular Weight | 308.271530399 |
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| IUPAC Name | (7Z,14Z)-icosa-7,14-dienoic acid |
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| Traditional Name | (7Z,14Z)-icosa-7,14-dienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCC)=C(/[H])CCCCC\C([H])=C(\[H])CCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,13-14H,2-5,8-12,15-19H2,1H3,(H,21,22)/b7-6-,14-13- |
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| InChI Key | LYJCLHKKCLWCLC-ZBXVJARNSA-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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| 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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| Spectra |
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| | Spectrum Type | Description | Splash Key | Deposition Date | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0092000000-6a671063118966973569 | 2019-02-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01pp-4691000000-9daadf6eceb085f75352 | 2019-02-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0005-7950000000-f2ff4a05cd010d5720ac | 2019-02-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0039000000-46defe7a3a5473b710fd | 2019-02-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bti-1096000000-e40fcb7619384e0ab379 | 2019-02-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9140000000-c1bc3d1f6ad55d29da48 | 2019-02-23 | View Spectrum |
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| Concentrations |
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| Detected but not Quantified | Not Applicable | | | details |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 52921830 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | - Jinhui YANG, Nan ZHENG, Jiaqi WANG and Yongxin YANG (2018). Jinhui YANG, Nan ZHENG, Jiaqi WANG and Yongxin YANG. Comparative milk fatty acid analysis of different dairy species. International Journal of Dairy Technology (2018) 71(2) p.544-550. doi: 10.1111/1471-0307.12443. International Journal of Dairy Technology.
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