Structure Database (LMSD)

Common Name
cis-Gadoleic acid
Systematic Name
9Z-eicosenoic acid
Synonyms
  • cis-9-eicosenoic acid
  • cis-9-icosenoic acid
  • C20:1n-11
  • Gadoleic acid
  • Gondoleic acid
  • 9Z-eicosenic acid
LM ID
LMFA01030084
Status
Active
Exact Mass
Calculate m/z
310.28718
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)
LQJBNNIYVWPHFW-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\CCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

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Created at
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Updated at
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