Structure Database (LMSD)

Common Name
Linolenyl palmitatoleate
Systematic Name
9Z,12Z,15Z-octadecatrienyl 9Z-hexadecenoate
Synonyms
  • WE(18:3(9Z,12Z,15Z)/16:1(9Z))
LM ID
LMFA07010120
Formula
C34H60O2
Exact Mass
Calculate m/z
500.45933
Sum Composition
WE 34:4
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)
GPBWMJXPYJMKCY-MVXJGUQMSA-N
InChi (Click to copy)
InChI=1S/C34H60O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18H,3-4,6,8-10,12,15,19-33H2,1-2H3/b7-5-,13-11-,16-14-,18-17-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
165664
PubChem CID
56935943

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 601.14
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.66
Molar Refractivity 160.93

Admin

Created at
-
Updated at
-