Structure Database (LMSD)

Common Name
N-stearoyl,N-arachidoylethanolamine
Systematic Name
N-octadecanoyl-N-(2-hydroxyethyl)eicosanamide
Synonyms
LM ID
LMFA08020429
Formula
C40H79NO3
Exact Mass
Calculate m/z
621.605994
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)
TUBHHKWFSZWPAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(44)41(37-38-42)39(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCCCCC)CCO

Calculated Physicochemical Properties

Heavy Atoms 44
Rings
Aromatic Rings
Rotatable Bonds 36
Van der Waals Molecular Volume 732.65
Topological Polar Surface Area 57.61
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 13.21
Molar Refractivity 193.11

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