Structure Database (LMSD)

O O
Common Name
Myristoleyl linolenate
Systematic Name
9Z-tetradecenyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(14:1(9Z)/18:3(9Z,12Z,15Z))
LM ID
LMFA07010105
Formula
C32H56O2
Exact Mass
Calculate m/z
472.42803
Sum Composition
WE 32:4
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)
QLUWCQMZUAMOJF-BFOXCHDTSA-N
InChi (Click to copy)
InChI=1S/C32H56O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,10-13,17-18H,3-4,6,8-9,14-16,19-31H2,1-2H3/b7-5-,12-10-,13-11-,18-17-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)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
165685
PubChem CID
56935932

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 566.54
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 10.88
Molar Refractivity 151.70

Admin

Created at
-
Updated at
-