Structure Database (LMSD)

Common Name
10-keto-12Z-octadecenoic acid
Systematic Name
10-oxo-12Z-octadecenoic acid
Synonyms
  • 10-oxo-12-cis-octadecenoic acid
  • 12(Z)-10KOME
LM ID
LMFA02000055
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

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Flavobacterium sp. (#239)
Flavobacteriia (#117743)
Conversion of linoleic acid to 10-hydroxy-12(Z)-octadecenoic acid byFlavobacterium sp. (NRRL B-14859),
J Am Oil Chem Soc, 1994

String Representations

InChiKey (Click to copy)
IEQLMTRAAYQDSD-FLIBITNWSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
SMILES (Click to copy)
C(CCCCCCCCC(=O)C/C=C\CCCCC)(=O)O

Other Databases

CHEBI ID
192539
PubChem CID
24970825
Cayman ID
36977

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
-
Updated at
5th Jan 2023