In-Silico Structure Database (LMISSD)
Common Name
Asn 13:0
Systematic Name
N-(tridecanoyl)-asparagine
LM ID
LMFA0805A089
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
328.236208
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)
XKHQPIQKOLWXEC-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)19-14(17(22)23)13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23)/t14-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O