RefMet Compound Details

RefMet IDRM0140120
MW structure2561 (View MW Metabolite Database details)
RefMet nameLTB4
Systematic name5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
SMILESCCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O   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/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(
H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
InChIKeyVNYSSYRCGWBHLG-AMOLWHMGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassLeukotrienes
Pubchem CID5280492
ChEBI ID15647
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving LTB4

Rxn IDKEGG ReactionEnzyme
R03057 Leukotriene A4 + H2O <=> Leukotriene B4(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate hydrolase
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]
R03866 Leukotriene B4 + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 20-OH-Leukotriene B4 + [Oxidized NADPH---hemoprotein reductase] + H2O(6Z,8E,10E,14Z)-(5S,12R)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate,[reduced NADPH---hemoprotein reductase]:oxygen oxidoreductase (20-hydroxylating)

Table of KEGG human pathways containing LTB4

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 4
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