Structure Database (LMSD)

Common Name
Gadelaidic acid
Systematic Name
9E-Eicosenoic acid
Synonyms
  • C20:1n-11
LM ID
LMFA01030700
Status
Active
Exact Mass
Calculate m/z
310.28718
Formula
Abbrev


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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-VAWYXSNFSA-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/C=C/CCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3527
CHEBI 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

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022