RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0074129
RefMet name8S-HETE
Systematic name8S-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid
SynonymsPubChem Synonyms
Exact mass320.235145 (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
FormulaC20H32O3View other entries in RefMet with this formula
Molecular descriptors
Molfile2632 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(
H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
InChIKeyNLUNAYAEIJYXRB-VYOQERLCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETE
Distribution of 8S-HETE 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 8S-HETE
External Links
Pubchem CID5283154
LIPID MAPSLMFA03060006
ChEBI ID34486
KEGG IDC14776
HMDB IDHMDB0004679
Chemspider ID4446278
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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