Structure Database (LMSD)

O O
Common Name
Arachidyl linolenate
Systematic Name
eicosanyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(20:0/18:3(9Z,12Z,15Z))
LM ID
LMFA07010684
Formula
C38H70O2
Exact Mass
Calculate m/z
558.53758
Sum Composition
WE 38:3
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)
ZIFMUOBWYNUMBL-FLQWBAQUSA-N
InChi (Click to copy)
InChI=1S/C38H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22H,3-5,7,9-11,13,15-17,19-21,23-37H2,1-2H3/b8-6-,14-12-,22-18-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)OCCCCCCCCCCCCCCCCCCCC

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
165643
PubChem CID
56935965

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 672.98
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.45
Molar Refractivity 179.49

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Updated at
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