Structure Database (LMSD)

Common Name
9Z,13-Tetradecadien-11-ynal
Systematic Name
9Z,13-Tetradecadien-11-ynal
Synonyms
LM ID
LMFA06000180
Formula
C14H20O
Exact Mass
Calculate m/z
204.151415
Sum Composition
FAL 14:4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stenoma catenifer (#1921420)
Insecta (#50557)
(9Z)-9,13-Tetradecadien-11-ynal, the sex pheromone of the avocado seed moth, Stenoma catenifer,
Tetrahedron Letts, 2008

String Representations

InChiKey (Click to copy)
VHKRYAJKUGIJBD-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,14H,1,7-13H2/b6-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\C#CC=C)(=O)[H]

Other Databases

PubChem CID
25034157

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 246.35
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.66
Molar Refractivity 65.50

Admin

Created at
-
Updated at
4th Apr 2022