Structure Database (LMSD)

O O
Common Name
Palmityl behenate
Systematic Name
hexadecanyl docosanoate
Synonyms
  • WE(16:0/22:0)
  • hexadecyl docosanoate
LM ID
LMFA07010056
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)
UEDYHQHDUXDFGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Structural characterization of wax esters by electron ionization mass spectrometry.,
J Lipid Res, 2012
Pubmed ID: 22058425

Other Databases

PubChem CID
162506

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

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Updated at
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