Structure Database (LMSD)

Common Name
Palmityl laurate
Systematic Name
hexadecanyl dodecanoate
Synonyms
  • WE(16:0/12:0)
  • hexadecyl dodecanoate
LM ID
LMFA07010036
Formula
C28H56O2
Exact Mass
Calculate m/z
424.42803
Sum Composition
WE 28:0
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)
VWOKINHIVGKNRX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
84080
PubChem CID
88709
SwissLipids ID
SLM:000390001

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 133.61

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Updated at
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