Record Information |
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Version | 4.0 |
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Status | Detected and Quantified |
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Creation Date | 2008-09-15 09:55:18 UTC |
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Update Date | 2018-01-05 00:27:01 UTC |
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HMDB ID | HMDB0010222 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 9-HETE |
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Description | 9-HETE, which is a product of free radical-mediated arachidonic acid oxidation, is significantly elevated in patients with angiographically defined CAD. (PMID: 17145556 ). 9-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid. |
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Structure | |
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Synonyms | Value | Source |
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()-9-HETE | HMDB | ()-9-Hydroxy-(5Z,7E,11Z,14Z)-eicosatetraenoate | HMDB | ()-9-Hydroxy-(5Z,7E,11Z,14Z)-eicosatetraenoic acid | HMDB | 9-Hydroxy-5Z,7E,11Z,14Z-eicosatetraenoate | HMDB | 9-Hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acid | HMDB |
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Chemical Formula | C20H32O3 |
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Average Molecular Weight | 320.4663 |
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Monoisotopic Molecular Weight | 320.23514489 |
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IUPAC Name | (5E,7Z,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoic acid |
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Traditional Name | 9-hete |
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CAS Registry Number | Not Available |
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SMILES | CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O |
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InChI Identifier | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9+,13-10-,17-14- |
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InChI Key | KATOYYZUTNAWSA-DLJQHUEDSA-N |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as hydroxyeicosatetraenoic acids. These are eicosanoic acids with an attached hydroxyl group and four CC double bonds. |
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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 | Eicosanoids |
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Direct Parent | Hydroxyeicosatetraenoic acids |
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Alternative Parents | |
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Substituents | - Hydroxyeicosatetraenoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- 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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Disposition | Route of exposure: Source: Biological location: |
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Process | Naturally occurring process: |
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Role | Biological role: |
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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 | - Shishehbor MH, Zhang R, Medina H, Brennan ML, Brennan DM, Ellis SG, Topol EJ, Hazen SL: Systemic elevations of free radical oxidation products of arachidonic acid are associated with angiographic evidence of coronary artery disease. Free Radic Biol Med. 2006 Dec 1;41(11):1678-83. Epub 2006 Sep 8. [PubMed:17145556 ]
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