Structure Database (LMSD)

Common Name
Behenyl myristate
Systematic Name
docosanyl tetradecanoate
Synonyms
  • WE(22:0/14:0)
  • docosyl tetradecanoate
LM ID
LMFA07010051
Status
Active
Exact Mass
Calculate m/z
536.55323
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)
ZZEXXQGRXIUMCA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-14-12-10-8-6-4-2/h3-35H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC

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

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 646.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.34
Molar Refractivity 170.54

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Created at
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Updated at
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