Structure Database (LMSD)

Common Name
13,17-Dimethyl-1-pentatriacontene
Systematic Name
13,17-Dimethyl-1-pentatriacontene
Synonyms
LM ID
LMFA11000238
Formula
C37H74
Exact Mass
Calculate m/z
518.579051
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
Glossina austeni (#7395)
Insecta (#50557)
Sex pheromone of the tsetse species, Glossina austeni: isolation and identification of natural hydrocarbons, and bioassay of synthesized compounds.,
Med Vet Entomol, 2005
Pubmed ID: 16336312

String Representations

InChiKey (Click to copy)
XOTSPJNHXSERLP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H74/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-33-37(4)35-31-34-36(3)32-29-27-25-23-16-14-12-10-8-6-2/h6,36-37H,2,5,7-35H2,1,3-4H3
SMILES (Click to copy)
C=CCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165727
PubChem CID
56936148

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 646.02
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.17
Molar Refractivity 172.71

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Created at
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Updated at
5th Jan 2026