Structure Database (LMSD)

Common Name
SFE 20:2(11Z,19):2:0
Systematic Name
11Z,19-Eicosadienyl acetate
Synonyms
  • SFE(20:2(11Z,19):2:0)
LM ID
LMFA07010399
Formula
C22H40O2
Exact Mass
Calculate m/z
336.30283
Sum Composition
SFE 22:2
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]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthesis and biological evaluation of a "natural" insect repellent,
Z Naturforschung B, 2004

String Representations

InChiKey (Click to copy)
KSEXUZDYADHVFH-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h3,10-11H,1,4-9,12-21H2,2H3/b11-10-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\CCCCCCC=C

Other Databases

CHEBI ID
188235
PubChem CID
11359644

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.43
Molar Refractivity 105.72

Admin

Created at
-
Updated at
7th Jul 2023