Structure Database (LMSD)

NH H 2 N NH O H N H O HO
Common Name
N-stearoyl arginine
Systematic Name
N-octadecanoyl-arginine
Synonyms
LM ID
LMFA08020136
Formula
C23H46N4O3
Exact Mass
Calculate m/z
426.356991
Sum Composition
NAArg 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
JEISZCQAXYJJOO-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C23H46N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(28)27-20(22(29)30)18-19-26-23(24)25/h20H,2-19H2,1H3,(H,27,28)(H,29,30)(H4,24,25,26)/t20-/m0/s1
SMILES (Click to copy)
C(NC(=N)N)C[C@]([H])(NC(CCCCCCCCCCCCCCCCC)=O)C(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of endogenous acyl amino acids based on a targeted lipidomics approach.,
J Lipid Res, 2010
Pubmed ID: 19584404

Other Databases

CHEBI ID
165564
PubChem CID
52922079

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 468.91
Topological Polar Surface Area 128.30
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 3
logP 5.26
Molar Refractivity 124.65

Admin

Created at
-
Updated at
19th Feb 2024