Structure Database (LMSD)

Common Name
N-palmitoyl,N-linoleoylethanolamine
Systematic Name
N-hexdecanoyl-N-(2-hydroxyethyl)-9Z,12Z-octadecadienamide
Synonyms
LM ID
LMFA08020438
Formula
C36H67NO3
Exact Mass
Calculate m/z
561.512094
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Comments
Submitted by E. Camera

String Representations

InChiKey (Click to copy)
VAIMHYCYVVAXMU-BCTRXSSUSA-N
InChi (Click to copy)
InChI=1S/C36H67NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37(33-34-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,38H,3-10,12,14-16,19-34H2,1-2H3/b13-11-,18-17-
SMILES (Click to copy)
N(C(CCCCCCC/C=C\C/C=C\CCCCC)=O)(C(=O)CCCCCCCCCCCCCCC)CCO

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 658.17
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.20
Molar Refractivity 174.46

Admin

Created at
11th Mar 2024
Updated at
6th Nov 2024