In-Silico Structure Database (LMISSD)
Common Name
Arg 18:2(9E,12E)
Systematic Name
N-(9E,12E-octadecadienoyl)-arginine
LM ID
LMFA0805A056
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
422.325691
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)
RYGQXUQWCHJVQG-RHXDWXJHSA-N
InChi (Click to copy)
InChI=1S/C23H42N4O3/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/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,27,28)(H,29,30)(H4,24,25,26)/b7-6+,10-9+/t20-/m0/s1
SMILES (Click to copy)
CCCCC/C=C/C/C=C/CCCCCCCC(=N[C@@H](CCNC(=N)N)C(=O)O)O