In-Silico Structure Database (LMISSD)
Common Name
Asn 12:0
Systematic Name
N-(dodecanoyl)-asparagine
LM ID
LMFA0805A088
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
314.220558
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)
GDJYINIIGLKESK-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-13(16(21)22)12-14(17)19/h13H,2-12H2,1H3,(H2,17,19)(H,18,20)(H,21,22)/t13-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O