Structure Database (LMSD)

Common Name
SFE 14:2(11Z,13)/2:0
Systematic Name
11Z,13-Tetradecadienyl acetate
Synonyms
LM ID
LMFA07010308
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Argyrotaenia sphaleropa (#2954329)
Insecta (#50557)
Sex pheromone of South American tortricid moth Argyrotaenia sphaleropa.,
J Chem Ecol, 2002
Pubmed ID: 11926198

String Representations

InChiKey (Click to copy)
FNGLZFYTQNKDJT-PLNGDYQASA-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/h3-5H,1,6-15H2,2H3/b5-4-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\C=C

Other Databases

CHEBI ID
196070
PubChem CID
5363529

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
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
5th Sep 2024