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Record Information
Version1.0
Creation Date2016-09-30 22:53:58 UTC
Update Date2020-05-21 16:28:39 UTC
BMDB IDBMDB0002311
Secondary Accession Numbers
  • BMDB02311
Metabolite Identification
Common Name8,9-DiHETrE
Description8,9-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
Thumb
Synonyms
ValueSource
(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoic acidChEBI
(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoic acidChEBI
8,9-DHETChEBI
8,9-Dihydroxy-5Z,11Z,14Z-eicosatrienoic acidChEBI
8,9-Dihydroxy-5Z,11Z,14Z-icosatrienoic acidChEBI
8,9-Dihydroxyeicosatrienoic acidChEBI
(5Z,11Z,14Z)-8,9-Dihydroxyeicosa-5,11,14-trienoateGenerator
(5Z,11Z,14Z)-8,9-Dihydroxyicosa-5,11,14-trienoateGenerator
8,9-Dihydroxy-5Z,11Z,14Z-eicosatrienoateGenerator
8,9-Dihydroxy-5Z,11Z,14Z-icosatrienoateGenerator
8,9-DihydroxyeicosatrienoateGenerator
(+/-)8,9-dihetreHMDB
Chemical FormulaC20H34O4
Average Molecular Weight338.4816
Monoisotopic Molecular Weight338.245709576
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number192461-96-4
SMILESNot 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 KeyDCJBINATHQHPKO-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentHydroxyeicosatrienoic 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 FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Biological Properties
Cellular Locations
  • Cell membrane
  • Cytoplasm
  • Membrane
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0002311
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022960
KNApSAcK IDNot Available
Chemspider ID4446268
KEGG Compound IDC14773
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283144
PDB IDNot Available
ChEBI ID63970
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Not Available
Specific function:
Not Available
Gene Name:
EPHX2
Uniprot ID:
Q17QK4
Molecular weight:
62691.0
Reactions
8,9-Epoxyeicosatrienoic acid + Water → 8,9-DiHETrEdetails