RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153428
RefMet nameLTD4
Systematic name5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid
SynonymsPubChem Synonyms
Exact mass496.260710 (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
FormulaC25H40N2O6SView other entries in RefMet with this formula
Molecular descriptors
Molfile2565 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20
-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
InChIKeyYEESKJGWJFYOOK-IJHYULJSSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassLeukotrienes
Distribution of LTD4 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 LTD4
External Links
Pubchem CID5280878
LIPID MAPSLMFA03020006
ChEBI ID28666
KEGG IDC05951
HMDB IDHMDB0003080
Spectral data for LTD4 standards
MassBank(EU)View MS spectra
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 LTD4

Rxn IDKEGG ReactionEnzyme
R09875 Leukotriene C4 + H2O <=> Leukotriene D4 + L-Glutamateleukotriene-C4 hydrolase

Table of KEGG human pathways containing LTD4

Pathway IDHuman Pathway# of reactions
hsa00590 Arachidonic acid metabolism 1
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