Structure Database (LMSD)

Common Name
7Z-dodecenoic acid
Systematic Name
7Z-dodecenoic acid
Synonyms
  • C12:1n-5
LM ID
LMFA01030228
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MZNHSVOKYCWLPQ-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6H,2-4,7-11H2,1H3,(H,13,14)/b6-5-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC)(=O)O

References

Other Databases

LIPIDAT ID
3374
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.77
Molar Refractivity 59.39

Reactions

Filter by species:
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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022