Structure Database (LMSD)

Common Name
Methyl 2E,4E,6Z-decatrienoate
Systematic Name
Methyl 2E,4E,6Z-decatrienoate
Synonyms
  • WE(1:0/10:3(2E,4E,6Z))
LM ID
LMFA07010481
Formula
C11H16O2
Exact Mass
Calculate m/z
180.11503
Sum Composition
SFE 11:3
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 Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Plautia stali (#106108)
Insecta (#50557)
Identification of the Aggregation Pheromone of the Brown-Winged Green Bug, Plautia stali SCOTT (Heteroptera: Pentatomidae),
Appl Entomol Zool, 1996

String Representations

InChiKey (Click to copy)
DLNQRJFVXCCDKL-WJTNUVGISA-N
InChi (Click to copy)
InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7+,10-9+
SMILES (Click to copy)
O=C(/C=C/C=C/C=C\CCC)OC

Other Databases

CHEBI ID
137713
PubChem CID
11052245

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 205.88
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.63
Molar Refractivity 54.34

Admin

Created at
-
Updated at
4th Sep 2024