Structure Database (LMSD)

Common Name
Lesquerolic acid
Systematic Name
14-hydroxy-11Z-eicosenoic acid
Synonyms
  • 14-hydroxy-cis-11-eicosenoic acid
LM ID
LMFA01050117
Formula
C20H38O3
Exact Mass
Calculate m/z
326.282095
Sum Composition
FA 20:1;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
OONXYOAWMIVMCI-KAMYIIQDSA-N
InChi (Click to copy)
InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-
SMILES (Click to copy)
C(/C=C\CC(O)CCCCCC)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
165421
LIPIDBANK ID
DFA0383
PubChem CID
5282951

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 375.65
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.15
Molar Refractivity 98.22

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Created at
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Updated at
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