Structure Database (LMSD)

Common Name
Keteleeronic acid
Systematic Name
5Z,11Z-eicosadienoic acid
Synonyms
  • C20:2n-9,15
LM ID
LMFA01030865
Status
Active
Exact Mass
Calculate m/z
308.27153
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
RCYNQXHBZULXMM-GJWNNSPJSA-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/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15-
SMILES (Click to copy)
C(CCC/C=C\CCCC/C=C\CCCCCCCC)(=O)O

References

Reference
Identification of novel n-4 series polyunsaturated fatty acids
in a deep-sea clam, Calyptogena phaseoliformis.
Saito H.
J Chromatogr A. (2007) 1163(1-2):247-59.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Abyssogena phaseoliformis (#1871145)
Bivalvia (#6544)
Identification of novel n-4 series polyunsaturated fatty acids in a deep-sea clam, Calyptogena phaseoliformis.,
J Chromatogr A, 2007
Pubmed ID: 17604037

Other Databases

CHEBI ID
PubChem CID
PlantFA ID

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