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Record Information
Version3.6
Creation Date2008-09-15 09:55:01 UTC
Update Date2016-02-11 01:16:24 UTC
HMDB IDHMDB10205
Secondary Accession NumbersNone
Metabolite Identification
Common Name14,15-EpETE
Description14,15-EpETE is an oxygenated lipid found in human blood. This fatty acyl belongs to the main class of eicosanoids and sub class of other eicosanoids. (Lipid Maps).
Structure
Thumb
Synonyms
ValueSource
(+/-)-14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoateHMDB
(+/-)-14(15)-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acidHMDB
(5Z,8Z,11Z)-13-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoateHMDB
(5Z,8Z,11Z)-13-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoic acidHMDB
Chemical FormulaC20H30O3
Average Molecular Weight318.4504
Monoisotopic Molecular Weight318.219494826
IUPAC Name(5Z,8Z,11Z)-13-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}trideca-5,8,11-trienoic acid
Traditional Name(5Z,8Z,11Z)-13-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}trideca-5,8,11-trienoic acid
CAS Registry NumberNot Available
SMILES
CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O
InChI Identifier
InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,12-3-,13-10-
InChI KeyInChIKey=RGZIXZYRGZWDMI-QXBXTPPVSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Heterocyclic fatty acid
  • Epoxy fatty acid
  • Unsaturated fatty acid
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Ether
  • Oxirane
  • Dialkyl ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
Biofunction
  • Signaling
ApplicationNot Available
Cellular locations
  • Membrane (predicted from logP)
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.000548 mg/mLALOGPS
logP5.77ALOGPS
logP5.29ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)4.82ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.83 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity99.47 m3·mol-1ChemAxon
Polarizability37.52 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biofluid Locations
  • Blood
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.000119 +/- 0.000029 uMAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified0.000242 +/- 0.000101 uMAdult (>18 years old)Not Specified
Normal
details
BloodDetected and Quantified<0.0001 uMAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB027360
KNApSAcK IDNot Available
Chemspider ID17220771
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
NuGOwiki LinkHMDB10205
Metagene LinkHMDB10205
METLIN IDNot Available
PubChem Compound16061088
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available