Structure Database (LMSD)

Common Name
Linoleyl arachidonate
Systematic Name
9Z,12Z-octadecadienyl 5Z,8Z,11Z,14Z-eicosatetraenoate
Synonyms
  • WE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
LM ID
LMFA07010160
Formula
C38H64O2
Exact Mass
Calculate m/z
552.49063
Sum Composition
WE 38:6
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)
BMVIOBOTDSTLAP-BAGCZXHXSA-N
InChi (Click to copy)
InChI=1S/C38H64O2/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/h11-14,17-20,22,24,28,30H,3-10,15-16,21,23,25-27,29,31-37H2,1-2H3/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-
SMILES (Click to copy)
O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OCCCCCCCC/C=C\C/C=C\CCCCC

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
165667
PubChem CID
56935963

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 665.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.77
Molar Refractivity 179.21

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Created at
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Updated at
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