RefMet Compound Details

RefMet IDRM0152260
MW structure2640 (View MW Metabolite Database details)
RefMet name15S-HpETE
Systematic name15S-hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass336.230060 (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
FormulaC20H32O4View other entries in RefMet with this formula
InChIInChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,
1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
InChIKeyBFWYTORDSFIVKP-VAEKSGALSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassHETE
Pubchem CID5280893
ChEBI ID15628
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 15S-HpETE

Rxn IDKEGG ReactionEnzyme
R01593 Arachidonate + Oxygen <=> 15(S)-HPETEarachidonate:oxygen 15-oxidoreductase
R07035 2 Glutathione + 15(S)-HPETE <=> Glutathione disulfide + (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate + H2OGlutathione: 15-HPETE oxidoreductase
R07042 15(S)-HPETE <=> 15H-11,12-EETA15(S)-HPETE <=> 15H-11,12-EETA
R07043 15(S)-HPETE <=> 11H-14,15-EETA15(S)-HPETE <=> 11H-14,15-EETA

Table of KEGG human pathways containing 15S-HpETE

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 4
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