Structure Database (LMSD)

Common Name
Myristoleyl arachidonate
Systematic Name
9Z-tetradecenyl 5Z,8Z,11Z,14Z-eicosatetraenoate
Synonyms
  • WE(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
LM ID
LMFA07010119
Formula
C34H58O2
Exact Mass
Calculate m/z
498.44368
Sum Composition
WE 34:5
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)
WMEYKOAPDBHGDW-APIPFSMJSA-N
InChi (Click to copy)
InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10-13,17-18,20-21,24,26H,3-9,14-16,19,22-23,25,27-33H2,1-2H3/b12-10-,13-11-,18-17-,21-20-,26-24-
SMILES (Click to copy)
O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OCCCCCCCC/C=C\CCCC

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
165681
PubChem CID
56935942

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 598.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.44
Molar Refractivity 160.84

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Updated at
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