Survey with prize
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Bovine Metabolome Database.
Record Information
Version1.0
Creation Date2016-09-30 22:53:20 UTC
Update Date2020-05-21 16:28:39 UTC
BMDB IDBMDB0002265
Secondary Accession Numbers
  • BMDB02265
Metabolite Identification
Common Name14,15-DiHETrE
Description14,15-DiHETrE, also known as 14,15-dhet, 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, 14,15-dihetre is considered to be an eicosanoid. Based on a literature review a significant number of articles have been published on 14,15-DiHETrE.
Structure
Thumb
Synonyms
ValueSource
(5Z,8Z,11Z)-14,15-Dihydroxyeicosa-5,8,11-trienoic acidChEBI
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-trienoic acidChEBI
14,15-Dihydroxy-5Z,8Z,11Z-eicosatrienoic acidChEBI
14,15-Dihydroxyeicosatrienoic acidChEBI
(5Z,8Z,11Z)-14,15-Dihydroxyeicosa-5,8,11-trienoateGenerator
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-trienoateGenerator
14,15-Dihydroxy-5Z,8Z,11Z-eicosatrienoateGenerator
14,15-DihydroxyeicosatrienoateGenerator
(+/-)14,15-dihetreHMDB
14,15-DHETHMDB
Chemical FormulaC20H34O4
Average Molecular Weight338.4816
Monoisotopic Molecular Weight338.245709576
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number77667-09-5
SMILESNot Available
InChI Identifier
InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-
InChI KeySYAWGTIVOGUZMM-ILYOTBPNSA-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 IDHMDB0002265
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022935
KNApSAcK IDNot Available
Chemspider ID4446271
KEGG Compound IDC14775
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5283147
PDB IDNot Available
ChEBI ID63966
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
14,15-epoxy-5,8,11-eicosatrienoic acid + Water → 14,15-DiHETrEdetails