| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:52:08 UTC |
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| Update Date | 2020-06-04 21:09:28 UTC |
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| BMDB ID | BMDB0002177 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 8,11,14,17-Eicosatetraenoic acid |
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| Description | 8,11,14,17-Eicosatetraenoic 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. 8,11,14,17-Eicosatetraenoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. In cattle, 8,11,14,17-eicosatetraenoic acid is involved in the metabolic pathway called the Alpha linolenic Acid and linoleic Acid metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 8,11,14,17-Eicosatetraenoate | Generator | | 8,11,14,17-Eicosatetraenoic acid | MeSH | | 8,11,14,17-Eicosatetraenoic acid, Z-isomer | MeSH |
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| Chemical Formula | C20H32O2 |
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| Average Molecular Weight | 304.474 |
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| Monoisotopic Molecular Weight | 304.24023027 |
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| IUPAC Name | (8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoic acid |
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| Traditional Name | (8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+,13-12+ |
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| InChI Key | HQPCSDADVLFHHO-GFRMADBLSA-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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| 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 | - van Gastelen S, Antunes-Fernandes EC, Hettinga KA, Dijkstra J: Relationships between methane emission of Holstein Friesian dairy cows and fatty acids, volatile metabolites and non-volatile metabolites in milk. Animal. 2017 Sep;11(9):1539-1548. doi: 10.1017/S1751731117000295. Epub 2017 Feb 21. [PubMed:28219465 ]
- 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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