Structure Database (LMSD)

Common Name
15Z-docosenoic acid
Systematic Name
15Z-docosenoic acid
Synonyms
  • C22:1n-7
LM ID
LMFA01030402
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)
KPGGPQIHJCHVLZ-FPLPWBNLSA-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/h7-8H,2-6,9-21H2,1H3,(H,23,24)/b8-7-
SMILES (Click to copy)
C(CCCCCCCCCCCCC/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3246
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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