Structure Database (LMSD)

OH O O
Common Name
11-oxo-undeca-5,9-dienoic acid
Systematic Name
11-oxo-undeca-(5Z,9E)-dienoic acid
Synonyms
LM ID
LMFA01060221
Formula
C11H16O3
Exact Mass
Calculate m/z
196.109945
Sum Composition
FA 11:3;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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
LPCLISDRKJOFGY-CJXSKEFVSA-N
InChi (Click to copy)
InChI=1S/C11H16O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1,3,6,8,10H,2,4-5,7,9H2,(H,13,14)/b3-1-,8-6+
SMILES (Click to copy)
C(CCC/C=C\CC/C=C/C=O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Physcomitrium patens (#3218)
Bryopsida (#3214)
Biosynthesis of oxylipins in non-mammals.,
Prog Lipid Res, 2009
Pubmed ID: 19268690

Other Databases

CHEBI ID
186322
PubChem CID
92034431

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 214.67
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.33
Molar Refractivity 55.06

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Created at
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Updated at
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