Structure Database (LMSD)

Common Name
Myristyl myristate
Systematic Name
tetradecanyl tetradecanoate
Synonyms
  • WE(14:0/14:0)
  • tetradecyl tetradecanoate
LM ID
LMFA07010035
Status
Active
Exact Mass
Calculate m/z
424.42803
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DZKXJUASMGQEMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCC

References

Reference
Structural characterization of wax esters by electron ionization mass spectrometry
Klara Urbanova, Vladimir Vrkoslav, Irena Valterova, Martina Hakova, and Josef Cvacka
J. Lipid Res. 53:(1) 204-213 (2012)

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
PubChem CID

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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Created at
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Updated at
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