Structure Database (LMSD)

O O OH
Common Name
17(18)-EpETE
Systematic Name
(+/-)-17(18)-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03000004
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]
Other Eicosanoids [FA0300]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Epoxy fatty acids [FA0107]

String Representations

InChiKey (Click to copy)
GPQVVJQEBXAKBJ-JPURVOHMSA-N
InChi (Click to copy)
InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC)(=O)O

References

Other Databases

KEGG ID
C13843
HMDB ID
HMDB0010212
CHEBI ID
72853
PubChem CID
16061089
SwissLipids ID
SLM:000389388

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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