Structure Database (LMSD)

O O
Common Name
Myristyl linolenate
Systematic Name
tetradecanyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(14:0/18:3(9Z,12Z,15Z))
  • tetradecyl 9Z,12Z,15Z-octadecatrienoate
LM ID
LMFA07010107
Formula
C32H58O2
Exact Mass
Calculate m/z
474.44368
Sum Composition
WE 32:3
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)
LNZYYCFZPLZOEF-SVNQLWEDSA-N
InChi (Click to copy)
InChI=1S/C32H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-31H2,1-2H3/b7-5-,13-11-,18-17-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)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

CHEBI ID
165693
PubChem CID
56935934

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 569.18
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.10
Molar Refractivity 151.79

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Updated at
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