Structure Database (LMSD)

Common Name
22-keto-26-Hexacosanolide
Systematic Name
22-keto-26-Hexacosanolide
Synonyms
LM ID
LMFA07040062
Formula
C26H48O3
Exact Mass
Calculate m/z
408.360345
Sum Composition
FA 26:2;O
Status
Active
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]
Oxo fatty acids [FA0106]
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)
ZBDDNIFFGBJABU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H48O3/c27-25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-26(28)29-24-20-19-22-25/h1-24H2
SMILES (Click to copy)
C1(OCCCCC(=O)CCCCCCCCCCCCCCCCCCCC1)=O

Other Databases

CHEBI ID
188282
PubChem CID
56936052

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 467.09
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 8.37
Molar Refractivity 122.65

Admin

Created at
-
Updated at
28th Mar 2021