Structure Database (LMSD)

Common Name
21-Methyl-8Z-pentatriacontene
Systematic Name
21-Methyl-8Z-pentatriacontene
Synonyms
LM ID
LMFA11000079
Formula
C36H72
Exact Mass
Calculate m/z
504.563401
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View studies deposited in Metabolomics Workbench in which this molecule has been identified

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Psacothea hilaris (#157325)
Insecta (#50557)
Reproductive biology of the yellow-spotted longicorn beetle,Psacothea hilaris (pascoe) (Coleoptera: Cerambycidae). III. Identification of contact sex pheromone on female body surface.,
J Chem Ecol, 1996
Pubmed ID: 24227408

String Representations

InChiKey (Click to copy)
PXCAACLCRICOBP-VLGSPTGOSA-N
InChi (Click to copy)
InChI=1S/C36H72/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-36(3)34-32-30-28-26-24-17-15-13-11-9-7-5-2/h16,18,36H,4-15,17,19-35H2,1-3H3/b18-16-
SMILES (Click to copy)
CCCCCCC/C=C\CCCCCCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

CHEBI ID
165734
PubChem CID
56936079

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 628.72
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.92
Molar Refractivity 168.16

Admin

Created at
-
Updated at
23rd Dec 2025