| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-07-30 18:58:16 UTC |
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| Update Date | 2016-08-02 20:15:40 UTC |
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| Lmdb | LMDB00851 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | 4,8,12,15,19,21-Tetracosahexaenoic acid |
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| Description | 4,8,12,15,19,21-tetracosahexaenoic acid 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. 4,8,12,15,19,21-tetracosahexaenoic 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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| 4,8,12,15,19,21-Tetracosahexaenoate | Generator |
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| Chemical Formula | C24H36O2 |
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| Average Molecular Weight | 356.55 |
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| Monoisotopic Molecular Weight | 356.271530399 |
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| IUPAC Name | (4E,8E,12E,15E,19E,21E)-tetracosa-4,8,12,15,19,21-hexaenoic acid |
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| Traditional Name | (4E,8E,12E,15E,19E,21E)-tetracosa-4,8,12,15,19,21-hexaenoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CC\C([H])=C(/[H])CCC(O)=O)=C(\[H])CC\C([H])=C(/[H])C\C([H])=C(/[H])CC\C([H])=C(/[H])\C(\[H])=C(/[H])CC |
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| InChI Identifier | InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-6,9-10,12-13,16-17,20-21H,2,7-8,11,14-15,18-19,22-23H2,1H3,(H,25,26)/b4-3+,6-5+,10-9+,13-12+,17-16+,21-20+ |
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| InChI Key | VIEVDWQLJOPJTP-FWMXRSOJSA-N |
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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
- 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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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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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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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0009000000-b854cec2e6b82a649e37 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dr-4559000000-7fb0a05c63e884ab5e4d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01p2-9883000000-5aecee10b354dc2c3336 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0009000000-2a2103fe5e22d781b9b9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0bti-0009000000-e8a6c1781546520cfcf8 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9123000000-4654a1e287ca7feea07b | Spectrum |
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