Structure Database (LMSD)

Common Name
SFE 20:1(11Z)/2:0
Systematic Name
11Z-Eicosenyl acetate
Synonyms
  • SFE(20:1(11Z)/2:0)
LM ID
LMFA07010400
Formula
C22H42O2
Exact Mass
Calculate m/z
338.31848
Sum Composition
SFE 22:1
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]

Biological Context

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drosophila malerkotliana (#30036)
Insecta (#50557)
(Z)-11-Eicosenyl acetate, an aggregation pheromone inDrosophila malerkotliana.,
J Chem Ecol, 1989
Pubmed ID: 24271441

String Representations

InChiKey (Click to copy)
PYVDPRZZYPCYBD-KHPPLWFESA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h10-11H,3-9,12-21H2,1-2H3/b11-10-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\CCCCCCCC

Other Databases

CHEBI ID
180029
PubChem CID
11493805

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.65
Molar Refractivity 105.81

Admin

Created at
-
Updated at
7th Jul 2023