Structure Database (LMSD)

Common Name
20:2(6,11)
Systematic Name
6Z,11Z-eicosadienoic acid
Synonyms
  • C20:2n-9,14
LM ID
LMFA01030898
Status
Active
Exact Mass
Calculate m/z
308.27153
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)
JCIGYPWFRJJJJC-KLGWIHQKSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,14-15H,2-8,11-13,16-19H2,1H3,(H,21,22)/b10-9-,15-14-
SMILES (Click to copy)
C(CCCC/C=C\CCC/C=C\CCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euryspongia (#1163034)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.66
Molar Refractivity 96.23

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022