RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0149890
RefMet name12R-HpETE
Systematic name12R-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
SynonymsPubChem Synonyms
Exact mass336.230060 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H32O4View other entries in RefMet with this formula
Molecular descriptors
Molfile2678 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,2
1,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
InChIKeyZIOZYRSDNLNNNJ-ZYBDYUKJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETE
Distribution of 12R-HpETE in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 12R-HpETE
External Links
Pubchem CID9548885
LIPID MAPSLMFA03060070
ChEBI ID34145
KEGG IDC14812
HMDB IDHMDB0004692
Chemspider ID7827808
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 12R-HpETE

Rxn IDKEGG ReactionEnzyme
R07038 Arachidonate + Oxygen <=> 12(R)-HPETEArachidonate: oxygen 12-oxidoreductase
R13044 12(R)-HPETE <=> 12-OxoETE + H2O12(R)-HPETE hydro-lyase

Table of KEGG human pathways containing 12R-HpETE

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 2
  logo