RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153733
RefMet name8R-HpODE
Systematic name8R-hydroperoxy-9Z,12Z-octadecadienoic acid
SynonymsPubChem Synonyms
Exact mass312.230060 (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
FormulaC18H32O4View other entries in RefMet with this formula
Molecular descriptors
Molfile2149 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)
/b7-6-,14-11-/t17-/m0/s1
InChIKeyRGJSGXNKRWWCOQ-QMEIEYGNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\[C@@H](CCCCCCC(=O)O)OO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassOctadecanoids
Sub ClassHpODE
Distribution of 8R-HpODE in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 8R-HpODE
External Links
Pubchem CID6438758
LIPID MAPSLMFA02000113
ChEBI ID34485
KEGG IDC14831
HMDB IDHMDB0004706
Chemspider ID4943210
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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