Structure Database (LMSD)
Common Name
N-stearoyl,N-margaroylethanolamine
Systematic Name
N-octadecanoyl-N-(2-hydroxyethyl)heptadecanamide
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of N-stearoyl,N-margaroylethanolamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Submitted by E. Camera
String Representations
InChiKey (Click to copy)
LYVYFTVONAJLGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)38(34-35-39)36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-35H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)(=O)N(C(=O)CCCCCCCCCCCCCCCC)CCO
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
Aromatic Rings
Rotatable Bonds
33
Van der Waals Molecular Volume
680.75
Topological Polar Surface Area
57.61
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
12.04
Molar Refractivity
179.26
Admin
Created at
11th Mar 2024
Updated at
6th Nov 2024