Structure Database (LMSD)

Common Name
9-Pentacosyne
Systematic Name
9-Pentacosyne
Synonyms
LM ID
LMFA11000565
Formula
C25H48
Exact Mass
Calculate m/z
348.3756
Status
Active
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
Callidiellum rufipenne (#2696725)
Insecta (#50557)
Identification of an important component of the contact sex pheromone of Callidiellum rufipenne (Coleoptera: Cerambycidae).,
Environ Entomol, 2009
Pubmed ID: 19689909

String Representations

InChiKey (Click to copy)
SVFORKJCDSRQNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H48/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/h3-17,19,21-25H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC#CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
22224231

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 435.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 9.22
Molar Refractivity 116.08

Admin

Created at
-
Updated at
4th Apr 2022