Structure Database (LMSD)

O OH O
Common Name
LTA4
Systematic Name
5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • Leukotriene A4
LM ID
LMFA03020023
Formula
C20H30O3
Exact Mass
Calculate m/z
318.219495
Sum Composition
FA 20:5;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Epoxy fatty acids [FA0107]

String Representations

InChiKey (Click to copy)
UFPQIRYSPUYQHK-WAQVJNLQSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O

References

Other Databases

Wikipedia
Leukotriene_A4
KEGG ID
C00909
HMDB ID
HMDB0001337
CHEBI ID
15651
LIPIDBANK ID
XPR3001
PubChem CID
5280383
SwissLipids ID
SLM:000000970
PDB ID
DJ3
GuidePharm ID
5214

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 355.37
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.78
Molar Refractivity 96.49

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Created at
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Updated at
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