Structure Database (LMSD)

Common Name
6,9,12-Nonacosatriene
Systematic Name
6,9,12-Nonacosatriene
Synonyms
LM ID
LMFA11000470
Formula
C29H54
Exact Mass
Calculate m/z
402.422551
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
Leptogenys (#219782)
Insecta (#50557)
Fine tuning of social integration by two myrmecophiles of the ponerine army ant, Leptogenys distinguenda.,
J Chem Ecol, 2009
Pubmed ID: 19234744

String Representations

InChiKey (Click to copy)
FEKCENHFTOIJHA-BIZOJYOKSA-N
InChi (Click to copy)
InChI=1S/C29H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25H,3-10,12,14-16,18,20-22,24,26-29H2,1-2H3/b13-11+,19-17+,25-23+
SMILES (Click to copy)
CCCCC/C=C/C/C=C/C/C=C/CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936195

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 502.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.89
Molar Refractivity 135.73

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Created at
-
Updated at
16th Dec 2025