In-Silico Structure Database (LMISSD)
Common Name
Asn 15:1(9Z)
Systematic Name
N-(9Z-pentadecenoyl)-asparagine
LM ID
LMFA0805A093
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
354.251858
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)
HLDBNEQQZNXRMY-WLMCBFPDSA-N
InChi (Click to copy)
InChI=1S/C19H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(23)21-16(19(24)25)15-17(20)22/h6-7,16H,2-5,8-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25)/b7-6-/t16-/m0/s1
SMILES (Click to copy)
CCCCC/C=C\CCCCCCCC(=N[C@@H](CC(=N)O)C(=O)O)O