| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2011-09-21 00:29:30 UTC |
|---|
| Update date | 2015-07-21 06:57:41 UTC |
|---|
| Primary ID | FDB023410 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Chemical Information |
|---|
| FooDB Name | 11,14,15-THETA |
|---|
| 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] |
|---|
| CAS Number | Not Available |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| (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 |
|
|---|
| Predicted Properties | |
|---|
| Chemical Formula | C20H34O5 |
|---|
| IUPAC name | 11,14,15-trihydroxyicosa-5,8,12-trienoic acid |
|---|
| 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) |
|---|
| InChI Key | YCFPVUKKIWMCJK-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | CCCCCC(O)C(O)C=CC(O)CC=CCC=CCCCC(O)=O |
|---|
| Average Molecular Weight | 354.481 |
|---|
| Monoisotopic Molecular Weight | 354.240624198 |
|---|
| Classification |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Eicosanoids |
|---|
| Direct Parent | Hydroxyeicosatrienoic acids |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Ontology | No ontology term |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
|---|
| Physical state | Solid | |
|---|
| Physical Description | Not Available | |
|---|
| Mass Composition | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
| Boiling Point | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental pKa | Not Available | |
|---|
| Isoelectric point | Not Available | |
|---|
| Charge | Not Available | |
|---|
| Optical Rotation | Not Available | |
|---|
| Spectroscopic UV Data | Not Available | |
|---|
| Density | Not Available | |
|---|
| Refractive Index | Not Available | |
|---|
|
|---|
| Spectra |
|---|
| Spectra | Not Available |
|---|
| External Links |
|---|
| ChemSpider ID | 10128354 |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | C14814 |
|---|
| Pubchem Compound ID | 11954059 |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB04694 |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
|---|
| EAFUS ID | Not Available |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | Not Available |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | Not Available |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Not Available |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | | Name | Gene Name | UniProt ID |
|---|
| Cytochrome P450, family 1, subfamily A, polypeptide 1 | CYP1A1 | A0N0X8 | | Cytochrome P450 2D6 | CYP2D6 | Q6NWU0 |
|
|---|
| Pathways | |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | Not Available |
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
