| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 00:29:30 UTC |
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| Update date | 2015-07-21 06:57:41 UTC |
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| Primary ID | FDB023410 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 11,14,15-THETA |
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| Description | 11,14,15-trihydroxyeicosatrienoic acid (11,14,15-THETA) is a metabolite of the 15-lipoxygenase (15-LO) pathway of arachidonic acid (AA). Increased amounts of 11,14,15-THETA are synthesized in subacute hypoxia. Prolonged exposure to reduced PO2 activates 15-LO in small pulmonary arteries (PA); activation of 15-LO is associated with translocation of the enzyme from the cytosol to membrane. 11,14,15-THETA is an endothelium-derived relaxing factor. (PMID: 12690037, 9812980, 15388505, 14622984) [HMDB] |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoate | hmdb | | (5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid | hmdb | | (5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoate | hmdb | | (5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid | hmdb | | 11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoate | hmdb | | 11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoic acid | hmdb | | 11,14,15-Trihydroxyicosatrienoate | hmdb | | 11,14,15-Trihydroxyicosatrienoic acid | hmdb |
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| Predicted Properties | |
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| Chemical Formula | C20H34O5 |
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| IUPAC name | 11,14,15-trihydroxyicosa-5,8,12-trienoic acid |
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| InChI Identifier | InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25) |
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| InChI Key | YCFPVUKKIWMCJK-UHFFFAOYSA-N |
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| Isomeric SMILES | CCCCCC(O)C(O)C=CC(O)CC=CCC=CCCCC(O)=O |
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| Average Molecular Weight | 354.481 |
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| Monoisotopic Molecular Weight | 354.240624198 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three 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 | Hydroxyeicosatrienoic acids |
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| Alternative Parents | |
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| Substituents | - Hydroxyeicosatrienoic acid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Polyol
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Solid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | 10128354 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C14814 |
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| Pubchem Compound ID | 11954059 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB04694 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| Cytochrome P450, family 1, subfamily A, polypeptide 1 | CYP1A1 | A0N0X8 | | Cytochrome P450 2D6 | CYP2D6 | Q6NWU0 |
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| Pathways | |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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