| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:53:58 UTC |
|---|
| Update Date | 2020-05-21 16:28:39 UTC |
|---|
| BMDB ID | BMDB0002311 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 8,9-DiHETrE |
|---|
| Description | 8,9-DiHETrE, also known as 8,9-dhet or (+/-)8,9-dihetre, 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. Thus, 8,9-dihetre is considered to be an eicosanoid. Based on a literature review very few articles have been published on 8,9-DiHETrE. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acid | ChEBI | | (5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acid | ChEBI | | 8,9-DHET | ChEBI | | 8,9-Dihydroxy-5Z,11Z,14Z-eicosatrienoic acid | ChEBI | | 8,9-Dihydroxy-5Z,11Z,14Z-icosatrienoic acid | ChEBI | | 8,9-Dihydroxyeicosatrienoic acid | ChEBI | | (5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoate | Generator | | (5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoate | Generator | | 8,9-Dihydroxy-5Z,11Z,14Z-eicosatrienoate | Generator | | 8,9-Dihydroxy-5Z,11Z,14Z-icosatrienoate | Generator | | 8,9-Dihydroxyeicosatrienoate | Generator | | (+/-)8,9-dihetre | HMDB |
|
|---|
| Chemical Formula | C20H34O4 |
|---|
| Average Molecular Weight | 338.4816 |
|---|
| Monoisotopic Molecular Weight | 338.245709576 |
|---|
| IUPAC Name | Not Available |
|---|
| Traditional Name | Not Available |
|---|
| CAS Registry Number | 192461-96-4 |
|---|
| SMILES | Not Available |
|---|
| InChI Identifier | InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10- |
|---|
| InChI Key | DCJBINATHQHPKO-TYAUOURKSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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
- Unsaturated fatty acid
- Fatty acid
- Secondary alcohol
- 1,2-diol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
|
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
