Structure Database (LMSD)

Common Name
cis-cetoleic acid
Systematic Name
11Z-docosenoic acid
Synonyms
  • cis-11-docosenoic acid
  • C22:1n-11
LM ID
LMFA01030088
Status
Active
Exact Mass
Calculate m/z
338.31848
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)
KJDZDTDNIULJBE-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
SMILES (Click to copy)
C(/C=C\CCCCCCCCCC(=O)O)CCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.67
Molar Refractivity 105.56

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Created at
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Updated at
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