Structure Database (LMSD)

OH O O
Common Name
11,12-epoxy-14Z-Eicosenoic acid
Systematic Name
11,12-epoxy-14Z-Eicosenoic acid
Synonyms
  • (2Z)-3-(2-octenyl)-Oxiranedecanoic acid
  • 11,12-Epoxy-14c-eicosenoic acid
LM ID
LMFA01070024
Formula
C20H36O3
Exact Mass
Calculate m/z
324.266445
Sum Composition
FA 20:2;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)
DTMJFRNHKXMKBD-XFXZXTDPSA-N
InChi (Click to copy)
InChI=1S/C20H36O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h9,12,18-19H,2-8,10-11,13-17H2,1H3,(H,21,22)/b12-9-
SMILES (Click to copy)
O1C(C/C=C\CCCCC)C1CCCCCCCCCC(O)=O

References

Other Databases

PubChem CID
44352356
PlantFA ID
10517

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 363.29
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.45
Molar Refractivity 96.77

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Created at
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Updated at
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