In-Silico Structure Database (LMISSD)
Common Name
Asn 17:0
Systematic Name
N-(heptadecanoyl)-asparagine
LM ID
LMFA0805A096
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
384.298808
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)
ISOHYVPAXKTBJE-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C21H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)23-18(21(26)27)17-19(22)24/h18H,2-17H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/t18-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O