Structure Database (LMSD)

Common Name
13Z-Heptacosene
Systematic Name
13Z-Heptacosene
Synonyms
LM ID
LMFA11000076
Formula
C27H54
Exact Mass
Calculate m/z
378.422551
Status
Curated
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
Musca autumnalis (#221902)
Insecta (#50557)
Sex pheromone of the face fly,Musca autumnalis De Geer (Diptera: Muscidae),
J Chem Ecol, 1975

String Representations

InChiKey (Click to copy)
CXWCGEWKUWAPOE-RFBIWTDZSA-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/h25,27H,3-24,26H2,1-2H3/b27-25-
SMILES (Click to copy)
CCCCCCCCCCCC/C=C\CCCCCCCCCCCCC

Other Databases

PubChem CID
13456536

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

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Created at
-
Updated at
16th Jun 2025