Structure Database (LMSD)

O O
Common Name
Stearyl palmitate
Systematic Name
octadecanyl hexadecanoate
Synonyms
  • WE(18:0/16:0)
  • octadecyl hexadecanoate
LM ID
LMFA07010049
Formula
C34H68O2
Exact Mass
Calculate m/z
508.52193
Sum Composition
WE 34:0
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)
BILPUZXRUDPOOF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

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

CHEBI ID
84066
PubChem CID
75778
SwissLipids ID
SLM:000389998

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

Admin

Created at
-
Updated at
-