Structure Database (LMSD)

Common Name
SFE 14:2(9Z,12E)/2:0
Systematic Name
9Z,12E-Tetradecadienyl acetate
Synonyms
LM ID
LMFA07010322
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Biological Context

9(E),12(Z)-Tetradecadienyl acetate is a derivative of the insect pheromone 9(Z),12(E)-tetradecadienyl acetate.1 Formulations containing 9(E),12(Z)-tetradecadienyl acetate have been used to disrupt mating in insects.

This information has been provided by Cayman Chemical

References

1. Oyama, M. Mating suppression of Spodoptera litura (F.) by (Z, E)-9, 12-tetradecadienyl acetate. Appl. Ent. Zool. 12(3), 281-286 (1977).

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Plodia interpunctella (#58824)
Insecta (#50557)
The Sex Pheromone of the Mediterranean Flour Moth,
Agric Biol Chem, 1971

String Representations

InChiKey (Click to copy)
ZZGJZGSVLNSDPG-FDTUMDBZSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC/C=C\C/C=C/C

Other Databases

CHEBI ID
177695
PubChem CID
5365642
Cayman ID
42895

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.09
Molar Refractivity 78.01

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Created at
-
Updated at
19th Feb 2025