Structure Database (LMSD)

OH O
Common Name
2,6-nonadienoic acid
Systematic Name
2,6-nonadienoic acid
Synonyms
  • C9:2n-3,7
LM ID
LMFA01030447
Formula
C9H14O2
Exact Mass
Calculate m/z
154.09938
Sum Composition
FA 9:2
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
VCXVRGHERCHZLW-DYWGDJMRSA-N
InChi (Click to copy)
InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,7-8H,2,5-6H2,1H3,(H,10,11)/b4-3+,8-7+
SMILES (Click to copy)
C(/C=C/CC/C=C/CC)(=O)O

References

Other Databases

LIPIDAT ID
5420
CHEBI ID
165458
PubChem CID
5312590

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 173.92
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.37
Molar Refractivity 45.44

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022