Structure Database (LMSD)

Common Name
9Z-Pentatriacontene
Systematic Name
9Z-Pentatriacontene
Synonyms
LM ID
LMFA11000115
Formula
C35H70
Exact Mass
Calculate m/z
490.54775
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
Hydrotaea aenescens (#221905)
Insecta (#50557)
Distinctive hydrocarbons of the black dump fly, Hydrotaea aenescens (Diptera: Muscidae).,
Arch Insect Biochem Physiol, 2001
Pubmed ID: 11746561

String Representations

InChiKey (Click to copy)
AQGWMPFCRUALJK-ZPHPHTNESA-N
InChi (Click to copy)
InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-
SMILES (Click to copy)
CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
169699
PubChem CID
56936096

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 611.42
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.68
Molar Refractivity 163.61

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Created at
-
Updated at
4th Apr 2022