Structure Database (LMSD)

O O
Common Name
hexadecyl hexacosanoate
Systematic Name
hexadecyl hexacosanoate
Synonyms
  • WE(16:0/26:0)
LM ID
LMFA07010009
Formula
C42H84O2
Exact Mass
Calculate m/z
620.64713
Sum Composition
WE 42:0
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)
IIWLDEGUWUNAAK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

References

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

Other Databases

PubChem CID
13908831

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 750.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.68
Molar Refractivity 198.24

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Updated at
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