Structure Database (LMSD)

Common Name
docosenyl butyrate
Systematic Name
docosenyl butyrate
Synonyms
  • WE(22:0/4:0)
LM ID
LMFA07010431
Formula
C26H52O2
Exact Mass
Calculate m/z
396.39673
Sum Composition
SFE 26:0
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]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
VCZVPMCCBMEIIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26(27)24-4-2/h3-25H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
560693

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 473.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.44
Molar Refractivity 124.37

Admin

Created at
-
Updated at
6th Jun 2022