In-Silico Structure Database (LMISSD)
Common Name
Asn 18:2(9E,12E)
Systematic Name
N-(9E,12E-octadecadienoyl)-asparagine
LM ID
LMFA0805A100
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
394.283158
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)
IODAZQKPSKZEIS-MFNUGHGLSA-N
InChi (Click to copy)
InChI=1S/C22H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-19(22(27)28)18-20(23)25/h6-7,9-10,19H,2-5,8,11-18H2,1H3,(H2,23,25)(H,24,26)(H,27,28)/b7-6+,10-9+/t19-/m0/s1
SMILES (Click to copy)
CCCCC/C=C/C/C=C/CCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O