Structure Database (LMSD)

Common Name
Oleyl arachidate
Systematic Name
9Z-octadecenyl eicosanoate
Synonyms
  • WE(18:1(9Z)/20:0)
LM ID
LMFA07010166
Formula
C38H74O2
Exact Mass
Calculate m/z
562.56888
Sum Composition
WE 38:1
Status
Curated
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)
HWRYIWKGLJIMLG-ZZEZOPTASA-N
InChi (Click to copy)
InChI=1S/C38H74O2/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/h18,20H,3-17,19,21-37H2,1-2H3/b20-18-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC

Other Databases

CHEBI ID
165695
PubChem CID
5367705

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 678.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.89
Molar Refractivity 179.68

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Created at
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Updated at
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