RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153748
RefMet name5S,8R-DiHODE
Systematic name5S,8R-dihydroxy-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
Molfile2320 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/
b7-6-,11-9-/t16-,17-/m0/s1
InChIKeyCVXOCQUHJDKXHR-JFKQHRMJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\[C@@H](CC[C@H](CCCC(=O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassOctadecanoids
Sub ClassDiHODE
Distribution of 5S,8R-DiHODE in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 5S,8R-DiHODE
External Links
Pubchem CID25755602
LIPID MAPSLMFA02000284
ChEBI ID63216
KEGG IDC20186
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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