Structure Database (LMSD)

Common Name
6Z,9Z,20-Heneicosatriene
Systematic Name
6Z,9Z,20-Heneicosatriene
Synonyms
LM ID
LMFA11000137
Formula
C21H38
Exact Mass
Calculate m/z
290.297351
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euplagia quadripunctaria (#987932)
Insecta (#50557)
Autodetection and chemistry of female and male pheromone in both sexes of the tiger moth Panaxia quadripunctaria,
J Comp Physiol A, 1998

String Representations

InChiKey (Click to copy)
JEADKAHJFBCEDU-MLWYYCKJSA-N
InChi (Click to copy)
InChI=1S/C21H38/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,12,14,18,20H,1,4-11,13,15-17,19,21H2,2H3/b14-12-,20-18-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\CCCCCCCCCC=C

Other Databases

CHEBI ID
165740
PubChem CID
56936112

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 363.94
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.77
Molar Refractivity 98.79

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Created at
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Updated at
16th Dec 2025