Structure Database (LMSD)

O O
Common Name
Myristyl laurate
Systematic Name
tetradecanyl dodecanoate
Synonyms
  • WE(14:0/12:0)
  • tetradecyl dodecanoate
LM ID
LMFA07010033
Formula
C26H52O2
Exact Mass
Calculate m/z
396.39673
Sum Composition
WE 26:0
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)
FNMPODAQERUMDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h3-25H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OCCCCCCCCCCCCCC

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

PubChem CID
89700

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 473.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.44
Molar Refractivity 124.37

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Updated at
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