Structure Database (LMSD)

Common Name
Cetelaidic acid
Systematic Name
11E-docosenoic acid
Synonyms
  • C22:1n-11
  • Catelaidic acid
LM ID
LMFA01030400
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-VAWYXSNFSA-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(CCCCCCCCC/C=C/CCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3242
HMDB 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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