Structure Database (LMSD)

Common Name
Myristoleyl myristate
Systematic Name
9Z-tetradecenyl tetradecanoate
Synonyms
  • WE(14:1(9Z)/14:0)
LM ID
LMFA07010091
Formula
C28H54O2
Exact Mass
Calculate m/z
422.41238
Sum Composition
WE 28:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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)
WOZMIYHLAHMXGG-LUAWRHEFSA-N
InChi (Click to copy)
InChI=1S/C28H54O2/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/h9,11H,3-8,10,12-27H2,1-2H3/b11-9-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
165686
PubChem CID
56935924

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 505.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.99
Molar Refractivity 133.51

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Updated at
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