In-Silico Structure Database (LMISSD)
Common Name
Arg 21:0
Systematic Name
N-(heneicosanoyl)-arginine
LM ID
LMFA0805A069
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
468.403941
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]
String Representations
InChiKey (Click to copy)
SDVIJSUGPMBAMA-QHCPKHFHSA-N
InChi (Click to copy)
InChI=1S/C26H52N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(31)30-23(25(32)33)21-22-29-26(27)28/h23H,2-22H2,1H3,(H,30,31)(H,32,33)(H4,27,28,29)/t23-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O