Structure database (LMSD)

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LM IDLMFA01030865
Common NameKeteleeronic acid
Systematic Name5Z,11Z-eicosadienoic acid
SynonymsC20:2n-9,15
Exact Mass
308.2715 (neutral)    Calculate m/z:
FormulaC20H36O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID13751478
PlantFA ID10135
InChIKeyRCYNQXHBZULXMM-GJWNNSPJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-1
0,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15-
SMILESC(CCC/C=C\CCCC/C=C\CCCCCCCC)(=O)O
StatusActive
ReferencesIdentification 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.
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
364.22Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.66Molar
Refractivity
96.23