Structure Database (LMSD)

Common Name
octadecyl 11E-hexadecenoate
Systematic Name
octadecyl 11E-hexadecenoate
Synonyms
  • WE(18:0/16:1(11E))
LM ID
LMFA07010004
Status
Active
Exact Mass
Calculate m/z
506.50628
Formula
C34H66O2
Abbrev
WE 34:1
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
RQYBZUUZOUHUDB-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C34H66O2/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/h10,12H,3-9,11,13-33H2,1-2H3/b12-10+
SMILES (Click to copy)
CCCC/C=C/CCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

PubChem CID
42607326

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 609.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.33
Molar Refractivity 161.21

Admin

Created at
-
Updated at
-