Structure Database (LMSD)

O O
Common Name
SFE 20:3(11Z,14Z,17Z)/2:0
Systematic Name
11Z,14Z,17Z-Eicosatrienyl acetate
Synonyms
  • SFE(20:3(11Z,14Z,17Z)/2:0)
LM ID
LMFA07010402
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Sum Composition
SFE 22:3
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)
ZTPDEIPEYUMKFD-YSTUJMKBSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h4-5,7-8,10-11H,3,6,9,12-21H2,1-2H3/b5-4-,8-7-,11-10-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC/C=C\C/C=C\C/C=C\CC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bracon cephi (#2572178)
Insecta (#50557)
Acetate esters of saturated and unsaturated alcohols (C12-C20) are major components in Dufour glands of Bracon cephi and Bracon lissogaster (Hymenoptera: Braconidae), parasitoids of the wheat stem sawfly, Cephus cinctus (Hymenoptera: Cephidae),
Biochem Syst Ecol, 2005

Other Databases

PubChem CID
44256560

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 396.18
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.20
Molar Refractivity 105.62

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Created at
-
Updated at
7th Jul 2023