Structure Database (LMSD)

Common Name
3E,7Z-Tetradecadienyl acetate
Systematic Name
3E,7Z-Tetradecadienyl acetate
Synonyms
LM ID
LMFA07010300
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
SFE 16:2
Status
Active
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Symmetrischema tangolias (#1216959)
Insecta (#50557)
Isolation and identification of sex pheromone ofSymmetrischema tangolias (Gyen) (Lepidoptera: Gelechiidae).,
J Chem Ecol, 1995
Pubmed ID: 24233902

String Representations

InChiKey (Click to copy)
UZSWXWOYJAYMAH-YILALFFRSA-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/h8-9,12-13H,3-7,10-11,14-15H2,1-2H3/b9-8-,13-12+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/CC/C=C\CCCCCC

Other Databases

CHEBI ID
196075
PubChem CID
9899751

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

Admin

Created at
-
Updated at
6th Jun 2022