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
565.543395
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

Other Databases

PubChem CID
178328670

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

Admin

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