Structure Database (LMSD)

O O
Common Name
Behenyl palmitate
Systematic Name
docosanyl hexadecanoate
Synonyms
  • WE(22:0/16:0)
  • docosyl hexadecanoate
LM ID
LMFA07010010
Formula
C38H76O2
Exact Mass
Calculate m/z
564.58453
Sum Composition
WE 38:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]

String Representations

InChiKey (Click to copy)
FVFPPJUUWBXKFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Apis mellifera (#7460)
Insecta (#50557)
Sample preparation methods for beeswax characterization by gas chromatography with flame ionization detection.,
J Chromatogr A, 2006
Pubmed ID: 16854423

Other Databases

PubChem CID
3330118

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 680.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 14.12
Molar Refractivity 179.77

Admin

Created at
-
Updated at
-