In-Silico Structure Database (LMISSD)
Common Name
Asn 14:1(9Z)
Systematic Name
N-(9Z-tetradecenoyl)-asparagine
LM ID
LMFA0805A091
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
340.236208
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)
XPNBTAWCBSNQEY-YVACAVLKSA-N
InChi (Click to copy)
InChI=1S/C18H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h5-6,15H,2-4,7-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/b6-5-/t15-/m0/s1
SMILES (Click to copy)
CCCC/C=C\CCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O