RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138171
RefMet name10R-HpODE
Systematic name10R-hydroperoxy-8E,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
Molfile2321 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b
11-8-,15-12+/t17-/m1/s1
InChIKeyYONQBPOWOZLKHS-HLGVZOAESA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C[C@H](/C=C/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 10R-HpODE in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 10R-HpODE
External Links
Pubchem CID56927725
LIPID MAPSLMFA02000285
ChEBI ID64006
KEGG IDC19937
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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