Structure Database (LMSD)

Common Name
hexadecyl tricosanoate
Systematic Name
hexadecyl tricosanoate
Synonyms
  • WE(16:0/23:0)
LM ID
LMFA07010007
Formula
C39H78O2
Exact Mass
Calculate m/z
578.60018
Sum Composition
WE 39:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

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

String Representations

InChiKey (Click to copy)
KVPNEQOFBDJTSL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39(40)41-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCC)CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
42607329

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 37
Van der Waals Molecular Volume 698.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 14.51
Molar Refractivity 184.39

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Updated at
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