Structure Database (LMSD)

Common Name
9Z-Heptacosene
Systematic Name
9Z-Heptacosene
Synonyms
LM ID
LMFA11000108
Formula
C27H54
Exact Mass
Calculate m/z
378.422551
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Periplaneta japonica (#261918)
Insecta (#50557)
Cuticular lipids of insects—IV. hydrocarbons of the cockroaches Periplaneta japonica and Periplaneta americana compared to other cockroach hydrocarbons,
Comp Biochem Physiol B, 1972

String Representations

InChiKey (Click to copy)
WWHBGRQNRIORRZ-ZPHPHTNESA-N
InChi (Click to copy)
InChI=1S/C27H54/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/h17,19H,3-16,18,20-27H2,1-2H3/b19-17-
SMILES (Click to copy)
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6450014

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 473.02
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.55
Molar Refractivity 126.68

Admin

Created at
-
Updated at
9th Sep 2025