Structure Database (LMSD)

Common Name
9-Heptacosyne
Systematic Name
9-Heptacosyne
Synonyms
LM ID
LMFA11000550
Formula
C27H52
Exact Mass
Calculate m/z
376.4069
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)
ZFLCMRXQPBSJCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-17,19,21-27H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC#CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
22223758

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 470.38
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.00
Molar Refractivity 125.32

Admin

Created at
-
Updated at
4th Apr 2022