Structure Database (LMSD)

O OH
Common Name
11-cis-Linoleic acid
Systematic Name
9E,11Z-Octadecadienoic acid
Synonyms
  • 9,11-Octadecadienoic acid, (9E,11Z)-
  • 9,11-Octadecadienoic acid, (Z,E)-
  • (9E,11Z)-9,11-Octadecadienoic acid
  • 9-trans
  • 9-trans,11-cis-Octadecadienoic acid
  • 9E,11Z-
LM ID
LMFA02000307
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
JBYXPOFIGCOSSB-UQGDGPGGSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7-,10-9+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C\CCCCCC)(=O)O

References

Other Databases

HMDB ID
HMDB0005048
PubChem CID
5351472
PlantFA ID
10423

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

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Created at
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Updated at
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