Structure Database (LMSD)

Common Name
N-palmitoleoyl,N-margaroylethanolamine
Systematic Name
N-9Z-hexadecenoyl-N-(2-hydroxyethyl)-heptadecanamide
Synonyms
LM ID
LMFA08020431
Formula
C35H67NO3
Exact Mass
Calculate m/z
549.512095
Status
Curated
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)
FCCFGFKEGNSARO-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C35H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36(32-33-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-33H2,1-2H3/b16-14-
SMILES (Click to copy)
N(C(=O)CCCCCCC/C=C\CCCCCC)(C(CCCCCCCCCCCCCCCC)=O)CCO

Other Databases

PubChem CID
178328675

Calculated Physicochemical Properties

Heavy Atoms 39
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 643.51
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.03
Molar Refractivity 169.93

Admin

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