Structure Database (LMSD)

O O
Common Name
SFE 14:3(3E,8Z,11Z)/2:0
Systematic Name
3E,8Z,11Z-Tetradecatrienyl acetate
Synonyms
  • SFE(14:3(3E,8Z,11Z)/2:0)
LM ID
LMFA07010306
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
SFE 16:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
HWPJPNQEVWTZSJ-XBZOLNABSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4-,8-7-,13-12+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/CCC/C=C\C/C=C\CC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tuta absoluta (#702717)
Insecta (#50557)
(3E,8Z,11Z)-3,8,11-tetradecatrienyl acetate, major sex pheromone component of the tomato pest Scrobipalpuloides absoluta (Lepidoptera: Gelechiidae).,
Bioorg Med Chem, 1996
Pubmed ID: 8733608

Other Databases

CHEBI ID
180360
PubChem CID
9992319

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.86
Molar Refractivity 77.92

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Created at
-
Updated at
12th Jul 2023