Structure Database (LMSD)

Common Name
13-Methyl-1-tritriacontene
Systematic Name
13-Methyl-1-tritriacontene
Synonyms
LM ID
LMFA11000258
Formula
C34H68
Exact Mass
Calculate m/z
476.532101
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
Stomoxys calcitrans (#35570)
Insecta (#50557)
SEX PHEROMONE OF THE STABLE FLY 1 Identification, Synthesis, and Evaluation of Alkenes from Female Stable Flies,
J Chem Ecol, 1979

String Representations

InChiKey (Click to copy)
UOBLLRYFTAYFDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H68/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-34(3)32-30-28-26-24-15-13-11-9-7-5-2/h5,34H,2,4,6-33H2,1,3H3
SMILES (Click to copy)
C=CCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
165730
PubChem CID
56936157

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 594.12
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.14
Molar Refractivity 158.93

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Created at
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Updated at
26th Nov 2025