RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0150778
RefMet name12-Oxo-LTB4
Systematic name5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid
SynonymsPubChem Synonyms
Exact mass334.214410 (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
FormulaC20H30O4View other entries in RefMet with this formula
Molecular descriptors
Molfile2582 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,2
4)/b8-7+,9-6-,14-10+,15-11-/t19-/m1/s1
InChIKeySJVWVCVZWMJXOK-NOJHDUNKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\CC(=O)/C=C/C=C/C=C\[C@H](CCCC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassLeukotrienes
Distribution of 12-Oxo-LTB4 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 12-Oxo-LTB4
External Links
Pubchem CID5280876
LIPID MAPSLMFA03020024
ChEBI ID27814
KEGG IDC05949
HMDB IDHMDB0004234
Chemspider ID4444399
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 12-Oxo-LTB4

Rxn IDKEGG ReactionEnzyme
R03863 Leukotriene B4 + NAD+ <=> 12-Keto-leukotriene B4 + H+ + NADHprostaglandin reductase 3 [EC:1.3.1.48]
R03864 Leukotriene B4 + NADP+ <=> 12-Keto-leukotriene B4 + H+ + NADPHprostaglandin reductase 3 [EC:1.3.1.48]

Table of KEGG human pathways containing 12-Oxo-LTB4

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 2
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