Structure Database (LMSD)

O O
Common Name
Palmitoleyl arachidate
Systematic Name
9Z-hexadecenyl eicosanoate
Synonyms
  • WE(16:1(9Z)/20:0)
LM ID
LMFA07010158
Formula
C36H70O2
Exact Mass
Calculate m/z
534.53758
Sum Composition
WE 36:1
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)
IKZAMBGSRXDRMP-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-35H2,1-2H3/b16-14-
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCC)OCCCCCCCC/C=C\CCCCCC

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
165706
PubChem CID
5369025

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 643.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.11
Molar Refractivity 170.45

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Updated at
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