Structure Database (LMSD)

Common Name
3Z,6Z,9Z-Heneicosatriene
Systematic Name
3Z,6Z,9Z-Heneicosatriene
Synonyms
LM ID
LMFA11000164
Formula
C21H38
Exact Mass
Calculate m/z
290.297351
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Manulea japonica (#3108270)
Insecta (#50557)
Female sex pheromone of a lichen moth Eilema japonica (Arctiidae, Lithosiinae): components and control of production.,
J Insect Physiol, 2010
Pubmed ID: 20826159

String Representations

InChiKey (Click to copy)
KTTJXXJFKCTVBZ-JTBMWNAQSA-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/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-21H2,1-2H3/b7-5-,13-11-,19-17-
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCC

Other Databases

CHEBI ID
179103
PubChem CID
13116578

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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

Admin

Created at
-
Updated at
11th Dec 2025