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 09:54:59 UTC |
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Update Date | 2020-02-26 21:33:16 UTC |
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HMDB ID | HMDB0010203 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 13-HOTE |
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Description | 13-HOTE belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 13-HOTE is considered to be an octadecanoid lipid molecule. 13-HOTE is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | |
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Synonyms | Value | Source |
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13-Hydroxy-9Z,11E,15Z-octadecatrienoic acid | ChEBI | 13-OH-9Z,11E,15Z-Octadecatrienoic acid | ChEBI | 13-Hydroxy-9Z,11E,15Z-octadecatrienoate | Generator | 13-OH-9Z,11E,15Z-Octadecatrienoate | Generator | 13-HOTE | ChEBI |
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Chemical Formula | C18H30O3 |
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Average Molecular Weight | 294.429 |
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Monoisotopic Molecular Weight | 294.219494826 |
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IUPAC Name | (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid |
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Traditional Name | 13-hote |
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CAS Registry Number | Not Available |
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SMILES | CC\C=C/CC(O)\C=C\C=C/CCCCCCCC(O)=O |
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InChI Identifier | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+ |
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InChI Key | KLLGGGQNRTVBSU-JDTPQGGVSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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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 | Lineolic acids and derivatives |
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Direct Parent | Lineolic acids and derivatives |
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Alternative Parents | |
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Substituents | - Octadecanoid
- 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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| Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-00mo-9660000000-cdd31a587f020c6bb71f | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-0109-9544200000-b0a869f13b7e4fa48338 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-746f819f93600145d24c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-05r1-3590000000-b132154678fe02b12c68 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00kr-9620000000-83daf6b2d2d82029206d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0090000000-901bbdc98a5faa93989d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004l-1090000000-ef28369e562e3118852d | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9220000000-ce8f9d891009dab59be9 | Spectrum |
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General References | - Collins JF, Hu Z, Ranganathan PN, Feng D, Garrick LM, Garrick MD, Browne RW: Induction of arachidonate 12-lipoxygenase (Alox15) in intestine of iron-deficient rats correlates with the production of biologically active lipid mediators. Am J Physiol Gastrointest Liver Physiol. 2008 Apr;294(4):G948-62. doi: 10.1152/ajpgi.00274.2007. Epub 2008 Feb 7. [PubMed:18258795 ]
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