Structure Database (LMSD)

Common Name
26-Hexacosanolide
Systematic Name
26-Hexacosanolide
Synonyms
LM ID
LMFA07040061
Formula
C26H50O2
Exact Mass
Calculate m/z
394.38108
Sum Composition
FA 26:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudacanthotermes spiniger (#115113)
Insecta (#50557)
New macrolactones from the defensive salivary secretion of soldiers of the african termite Pseudacanthotermes spiniger,
Tetrahedron Letts, 1999

String Representations

InChiKey (Click to copy)
MYBBGYHMPJENNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c27-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-28-26/h1-25H2
SMILES (Click to copy)
C1(OCCCCCCCCCCCCCCCCCCCCCCCCC1)=O

Other Databases

PubChem CID
24770810

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 460.94
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.19
Molar Refractivity 122.26

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Created at
-
Updated at
31st Mar 2022