Structure Database (LMSD)

O O
Common Name
Myristoleyl myristoleate
Systematic Name
9Z-tetradecenyl 9Z-tetradecenoate
Synonyms
  • WE(14:1(9Z)/14:1(9Z))
LM ID
LMFA07010090
Formula
C28H52O2
Exact Mass
Calculate m/z
420.39673
Sum Composition
WE 28:2
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
DLWIEMYWILBAKT-HWAYABPNSA-N
InChi (Click to copy)
InChI=1S/C28H52O2/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/h9-12H,3-8,13-27H2,1-2H3/b11-9-,12-10-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCC)OCCCCCCCC/C=C\CCCC

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

CHEBI ID
165687
PubChem CID
56935923

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 502.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.77
Molar Refractivity 133.42

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Created at
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Updated at
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