Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 20:10:26 UTC |
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Update Date | 2022-09-22 18:34:45 UTC |
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HMDB ID | HMDB0341284 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 8(9)-EpETE |
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Description | 8(9)-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, 8(9)-epete is considered to be an eicosanoid. Based on a literature review a small amount of articles have been published on 8(9)-EpETE. |
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Structure | [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC1OC1C\C([H])=C(\[H])CCCC(O)=O InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b4-3-,7-6-,12-9-,13-10- |
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Synonyms | Value | Source |
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(5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoic acid | ChEBI | (5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoic acid | ChEBI | 8(9)-Epoxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid | ChEBI | 8,9-Epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoic acid | ChEBI | 8,9-Epoxy-(5Z,11Z,14Z,17Z)-icosatetraenoic acid | ChEBI | 8,9-Epoxyeicosatrienoic acid | ChEBI | 8,9-Epoxyicosatrienoic acid | ChEBI | (5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoate | Generator | (5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoate | Generator | 8(9)-Epoxy-5Z,11Z,14Z,17Z-eicosatetraenoate | Generator | 8,9-Epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate | Generator | 8,9-Epoxy-(5Z,11Z,14Z,17Z)-icosatetraenoate | Generator | 8,9-Epoxyeicosatrienoate | Generator | 8,9-Epoxyicosatrienoate | Generator |
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Chemical Formula | C20H30O3 |
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Average Molecular Weight | 318.457 |
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Monoisotopic Molecular Weight | 318.219494826 |
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IUPAC Name | (5Z)-7-{3-[(2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl]oxiran-2-yl}hept-5-enoic acid |
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Traditional Name | (5Z)-7-{3-[(2Z,5Z,8Z)-undeca-2,5,8-trien-1-yl]oxiran-2-yl}hept-5-enoic 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])CC1OC1C\C([H])=C(\[H])CCCC(O)=O |
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InChI Identifier | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b4-3-,7-6-,12-9-,13-10- |
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InChI Key | YKIOHMXLFWMWKD-JJUYGIQRSA-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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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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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 | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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