Structure Database (LMSD)

Common Name
Palmityl stearate
Systematic Name
hexadecanyl octadecanoate
Synonyms
  • WE(16:0/18:0)
  • hexadecyl octadecanoate
LM ID
LMFA07010048
Formula
C34H68O2
Exact Mass
Calculate m/z
508.52193
Sum Composition
WE 34:0
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

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

String Representations

InChiKey (Click to copy)
SSZBUIDZHHWXNJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
75631
PubChem CID
70924
SwissLipids ID
SLM:000389277

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 611.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.56
Molar Refractivity 161.31

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Updated at
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