Structure Database (LMSD)

Common Name
Linolenyl palmitate
Systematic Name
9Z,12Z,15Z-octadecatrienyl hexadecanoate
Synonyms
  • WE(18:3(9Z,12Z,15Z)/16:0)
LM ID
LMFA07010122
Formula
C34H62O2
Exact Mass
Calculate m/z
502.47498
Sum Composition
WE 34:3
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)
HNNWULCXHKISMF-SVNQLWEDSA-N
InChi (Click to copy)
InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
165663
PubChem CID
56935945

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 603.78
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.89
Molar Refractivity 161.02

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Created at
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Updated at
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