Structure Database (LMSD)

Common Name
Linoleyl arachidate
Systematic Name
9Z,12Z-octadecadienyl eicosanoate
Synonyms
  • WE(18:2(9Z,12Z)/20:0)
LM ID
LMFA07010164
Formula
C38H72O2
Exact Mass
Calculate m/z
560.55323
Sum Composition
WE 38:2
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)
FPGMSSFTDXXUPZ-MLWYYCKJSA-N
InChi (Click to copy)
InChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20H,3-11,13,15-17,19,21-37H2,1-2H3/b14-12-,20-18-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\C/C=C\CCCCC

Other Databases

CHEBI ID
165666
PubChem CID
45934103

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 675.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.67
Molar Refractivity 179.59

Admin

Created at
-
Updated at
-