Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2008-09-15 09:55:01 UTC |
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Update Date | 2021-09-14 15:46:46 UTC |
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HMDB ID | HMDB0010205 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 14,15-EpETE |
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Description | 14,15-EpETE, also known as 14(15)-epete, 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. Thus, 14,15-epete is considered to be an eicosanoid. Based on a literature review very few articles have been published on 14,15-EpETE. |
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Structure | CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10- |
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Synonyms | Value | Source |
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14(15)-EpETE | ChEBI | 14(15)-Epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid | ChEBI | 14,15-Epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoic acid | ChEBI | 14,15-Epoxy-(5Z,8Z,11Z,17Z)-icosatetraenoic acid | ChEBI | 14(15)-Epoxy-5Z,8Z,11Z,17Z-eicosatetraenoate | Generator | 14,15-Epoxy-(5Z,8Z,11Z,17Z)-eicosatetraenoate | Generator | 14,15-Epoxy-(5Z,8Z,11Z,17Z)-icosatetraenoate | Generator | (+/-)-14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoate | HMDB | (+/-)-14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid | HMDB | (5Z,8Z,11Z)-13-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoate | HMDB | (5Z,8Z,11Z)-13-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoic acid | HMDB | (5Z,8Z,11Z,17Z)-14,15-Epoxyicosatetraenoate | HMDB |
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Chemical Formula | C20H30O3 |
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Average Molecular Weight | 318.4504 |
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Monoisotopic Molecular Weight | 318.219494826 |
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IUPAC Name | (5Z,8Z,11Z)-13-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}trideca-5,8,11-trienoic acid |
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Traditional Name | (5Z,8Z,11Z)-13-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}trideca-5,8,11-trienoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O |
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InChI Identifier | InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10- |
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InChI Key | RGZIXZYRGZWDMI-QXBXTPPVSA-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
- Epoxy fatty acid
- Heterocyclic fatty acid
- Unsaturated fatty acid
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Oxirane
- Ether
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | |
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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 | Solid |
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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 | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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Spectra |
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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 - 14,15-EpETE GC-MS (Non-derivatized) - 70eV, Positive | splash10-00kf-6390000000-8bca9904b8100bd4fcc5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 14,15-EpETE GC-MS (1 TMS) - 70eV, Positive | splash10-00b9-9272000000-b95aa46c3e4dda452b53 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 14,15-EpETE GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | 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 - 14,15-EpETE 10V, Positive-QTOF | splash10-0udi-1139000000-02dd0f3a11a425276020 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 20V, Positive-QTOF | splash10-0f8i-9662000000-5e02c3ecfe41c9920da7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 40V, Positive-QTOF | splash10-0mkv-9800000000-85e19b799db4cc4fb961 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 10V, Negative-QTOF | splash10-014i-1059000000-9bdac78c4ac5f04c5d4b | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 20V, Negative-QTOF | splash10-014j-3194000000-ec0e9a77eba78b15b617 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 40V, Negative-QTOF | splash10-052f-9120000000-e3708dd5177e52369a62 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 10V, Negative-QTOF | splash10-014i-0239000000-811f153940cca99e91a7 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 20V, Negative-QTOF | splash10-00kb-2294000000-d09ef5637ab257890322 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 40V, Negative-QTOF | splash10-0006-9230000000-63b7cdb38338cb431814 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 10V, Positive-QTOF | splash10-0uyi-3269000000-37c784c17737cc91e90a | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 20V, Positive-QTOF | splash10-0f8c-9633000000-1a3f4242ef760f535b67 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 14,15-EpETE 40V, Positive-QTOF | splash10-05ox-9400000000-b7c207171392d16771e3 | 2021-09-22 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | - Membrane (predicted from logP)
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Detected and Quantified | 0.000119 +/- 0.000029 uM | Adult (>18 years old) | Both | Normal | | details | Blood | Detected and Quantified | 0.000242 +/- 0.000101 uM | Adult (>18 years old) | Not Specified | Normal | | details | Blood | Detected and Quantified | <0.0001 uM | Adult (>18 years old) | Both | Normal | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB027360 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 17220771 |
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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 | 16061088 |
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PDB ID | Not Available |
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ChEBI ID | 137269 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents 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 | - Barbosa-Sicard E, Markovic M, Honeck H, Christ B, Muller DN, Schunck WH: Eicosapentaenoic acid metabolism by cytochrome P450 enzymes of the CYP2C subfamily. Biochem Biophys Res Commun. 2005 Apr 22;329(4):1275-81. [PubMed:15766564 ]
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