RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153387
RefMet name8-HDoHE
Systematic name(+/-)-8-hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 22:6;O View other entries in RefMet with this sum composition
Exact mass344.235145 (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
FormulaC22H32O3View other entries in RefMet with this formula
Molecular descriptors
Molfile3041 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,19,21,23H,2,5,8,11,17-18,
20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,14-13-,15-12-,19-16+
InChIKeyZHBVYDMSPDDAKE-VTIZNUJUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CC(/C=C/C=C\CCC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassDocosanoids
Sub ClassDocosanoids
Distribution of 8-HDoHE 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 8-HDoHE
External Links
Pubchem CID11976798
LIPID MAPSLMFA04000026
ChEBI ID72610
HMDB IDHMDB0060051
Spectral data for 8-HDoHE standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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