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

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

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