Structure Database (LMSD)

O O
Common Name
hexadecyl pentacosanoate
Systematic Name
hexadecyl pentacosanoate
Synonyms
  • WE(16:0/25:0)
LM ID
LMFA07010008
Formula
C41H82O2
Exact Mass
Calculate m/z
606.63148
Sum Composition
WE 41:0
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)
RKQZBMBKAGLDEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C41H82O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41(42)43-40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

PubChem CID
42607330

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 732.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.29
Molar Refractivity 193.63

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Created at
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Updated at
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