Structure Database (LMSD)

Common Name
N-palmitoyl,N-stearoylethanolamine
Systematic Name
N-hexadecanoyl-N-(2-hydroxyethyl)octadecanamide
Synonyms
LM ID
LMFA08020425
Formula
C36H71NO3
Exact Mass
Calculate m/z
565.543394
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)
HKWKTDUVWOHDNH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H71NO3/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/h38H,3-34H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCCC)CCO

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 32
Van der Waals Molecular Volume 663.45
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.65
Molar Refractivity 174.64

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