Structure Database (LMSD)

Common Name
1,7Z,13Z-Pentacosatriene
Systematic Name
1,7Z,13Z-Pentacosatriene
Synonyms
LM ID
LMFA11000127
Formula
C25H46
Exact Mass
Calculate m/z
346.359951
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
Stomoxys calcitrans (#35570)
Insecta (#50557)
An unusual polyene from male stable flies,
J Chem Ecol, 1997

String Representations

InChiKey (Click to copy)
HGQIKZGGOPNPKM-KMMRODEJSA-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/h3,13,15,24-25H,1,4-12,14,16-23H2,2H3/b15-13-,25-24-
SMILES (Click to copy)
C=CCCCC/C=C\CCCC/C=C\CCCCCCCCCCC

Other Databases

PubChem CID
92034556

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
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
11th Dec 2025