Structure Database (LMSD)

O O OH
Common Name
17(18)-Epoxy-11Z,14Z-Eicosadienoic acid
Systematic Name
17,18-Epoxy-11Z,14Z-Eicosadienoic acid
Synonyms
  • 17,18-Epoxy-Z,Z-11,14-Eicosadienoic acid
  • (11Z,14Z)-16-(3-Ethyl-2-oxiranyl)-11,14-hexadecadienoic acid
  • 17,18-Epoxy-Eicosa-11c,14c-dienoic acid
LM ID
LMFA01070029
Formula
C20H34O3
Exact Mass
Calculate m/z
322.250795
Sum Composition
FA 20:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WKQIFAMQDFHXAL-HWXFIQLYSA-N
InChi (Click to copy)
InChI=1S/C20H34O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h6,8,12,14,18-19H,2-5,7,9-11,13,15-17H2,1H3,(H,21,22)/b8-6-,14-12-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C/C=C\CC1OC1CC)(=O)O

References

Other Databases

PubChem CID
131839787
PlantFA ID
10541

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 360.65
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.22
Molar Refractivity 96.68

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Created at
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Updated at
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