Structure Database (LMSD)

O O OH
Common Name
9-oxo-12Z-Octadecenoic acid
Systematic Name
9-oxo-12Z-Octadecenoic acid
Synonyms
  • 12-Octadecenoic acid, 9-oxo-, (12Z)-
  • 9-Oxo-12c-Octadecenoic acid
  • 9-Oxo-12c-Octadecensaeure
  • 9-Keto-Z-12-Octadecenoic acid
  • 9-Keto-Z-12-Octadecensaeure
LM ID
LMFA02000291
Formula
C18H32O3
Exact Mass
Calculate m/z
296.235145
Sum Composition
FA 18:2;O
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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
BKJBXNYJVJPQLE-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-
SMILES (Click to copy)
C(CCCCCCCC(=O)CC/C=C\CCCCC)(=O)O

References

Other Databases

PubChem CID
14289305
PlantFA ID
10452

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 338.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.29
Molar Refractivity 87.48

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Created at
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Updated at
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