In-Silico Structure Database (LMISSD)
Common Name
Asp 22:5(7Z,10Z,13Z,16Z,19Z)
Systematic Name
N-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-aspartic acid
LM ID
LMFA0805A163
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
445.282824
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)
CREAYDLAHFGZNL-CLBWIQCNSA-N
InChi (Click to copy)
InChI=1S/C26H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)27-23(26(31)32)22-25(29)30/h3-4,6-7,9-10,12-13,15-16,23H,2,5,8,11,14,17-22H2,1H3,(H,27,28)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,13-12-,16-15-/t23-/m0/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=N[C@@H](CC(=O)O)C(=O)O)O