Structure Database (LMSD)

Common Name
3Z,6Z,9Z-Pentacosatriene
Systematic Name
3Z,6Z,9Z-Pentacosatriene
Synonyms
LM ID
LMFA11000168
Formula
C25H46
Exact Mass
Calculate m/z
346.359951
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
Conogethes punctiferalis (#1133088)
Insecta (#50557)
Unsaturated cuticular hydrocarbons synergize responses to sex attractant pheromone in the yellow peach moth, Conogethes punctiferalis.,
J Chem Ecol, 2012
Pubmed ID: 22903747

String Representations

InChiKey (Click to copy)
AEARNXGXBHBSIY-JTBMWNAQSA-N
InChi (Click to copy)
InChI=1S/C25H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-25H2,1-2H3/b7-5-,13-11-,19-17-
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165739
PubChem CID
56936132

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 433.14
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.33
Molar Refractivity 117.26

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Created at
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Updated at
16th Dec 2025