Structure Database (LMSD)

Common Name
11Z-Octadecenyl acetate
Systematic Name
11Z-Octadecenyl acetate
Synonyms
  • cis-Vaccenyl acetate
LM ID
LMFA07010387
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
SFE 20:1
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drosophila melanogaster (#7227)
Insecta (#50557)
cis-Vaccenyl acetate as an aggregation pheromone inDrosophila melanogaster.,
J Chem Ecol, 1985
Pubmed ID: 24311338

String Representations

InChiKey (Click to copy)
QSZKEDWVAOAFQY-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\CCCCCC

Other Databases

CHEBI ID
46274
PubChem CID
5363286
Cayman ID
10010101
PDB ID
VA

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.87
Molar Refractivity 96.58

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Created at
-
Updated at
6th Jun 2022