Structure Database (LMSD)

Common Name
Palmitoleyl arachidonate
Systematic Name
9Z-hexadecenyl 5Z,8Z,11Z,14Z-eicosatetraenoate
Synonyms
  • WE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
LM ID
LMFA07010144
Formula
C36H62O2
Exact Mass
Calculate m/z
526.47498
Sum Composition
WE 36:5
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)
KHWQFXYVNZOFGS-SBWCHVBCSA-N
InChi (Click to copy)
InChI=1S/C36H62O2/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/h11,13-14,16-17,19,21-22,26,28H,3-10,12,15,18,20,23-25,27,29-35H2,1-2H3/b13-11-,16-14-,19-17-,22-21-,28-26-
SMILES (Click to copy)
O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OCCCCCCCC/C=C\CCCCCC

Other Databases

CHEBI ID
165707
PubChem CID
56935957

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 633.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.22
Molar Refractivity 170.07

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Updated at
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