Structure Database (LMSD)

O O
Common Name
Lauryl palmitate
Systematic Name
dodecanyl hexadecanoate
Synonyms
  • WE(12:0/16:0)
  • dodecyl hexadecanoate
LM ID
LMFA07010034
Formula
C28H56O2
Exact Mass
Calculate m/z
424.42803
Sum Composition
WE 28:0
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)
GULIJHQUYGTWSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28(29)30-27-25-23-21-19-14-12-10-8-6-4-2/h3-27H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCCCCCC

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
23871
PubChem CID
110202

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 507.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.22
Molar Refractivity 133.60

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Updated at
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