| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:40:53 UTC |
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| Update Date | 2020-06-04 20:29:24 UTC |
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| BMDB ID | BMDB0013025 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 6,9,12,15,18,21-Tetracosahexaenoic acid |
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| Description | 6,9,12,15,18,21-Tetracosahexaenoic acid, also known as tetracosa-6,9,12,15,18,21-hexaenoate, 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. Based on a literature review a small amount of articles have been published on 6,9,12,15,18,21-Tetracosahexaenoic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 6,9,12,15,18,21-Tetracosahexaenoate | Generator | | Tetracosa-6,9,12,15,18,21-hexaenoate | HMDB |
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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 | tetracosa-6,9,12,15,18,21-hexaenoic acid |
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| Traditional Name | tetracosa-6,9,12,15,18,21-hexaenoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(O)=O |
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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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26) |
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| InChI Key | YHGJECVSSKXFCJ-UHFFFAOYSA-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 | Not Available |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Adiposome
- Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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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 | |
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| General References | - M. Ferrand, B. Huquet. S. Barbey, F. Barillet, F. Faucon, H. Larroque, O. Leray, J.M. Trommenschlager, M. Brochard (2011). M. Ferrand et al. Determination of fatty acid profile in cow's milk using mid-infrared spectrometry: Interest of applying a variable selection by genetic algorithms before a PLS regression. Chemometrics and Intelligent Laboratory Systems 106 (2011) 183?189. Chemometrics and Intelligent Laboratory Systems.
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