In-Silico Structure Database (LMISSD)
Common Name
Ala 22:4(7Z,10Z,13Z,16Z)
Systematic Name
N-(7Z,10Z,13Z,16Z-docosatetraenoyl)-alanine
LM ID
LMFA0805A029
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
403.308644
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)
CBZANYLFDPJULY-CDBDZTKNSA-N
InChi (Click to copy)
InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23(2)25(28)29/h7-8,10-11,13-14,16-17,23H,3-6,9,12,15,18-22H2,1-2H3,(H,26,27)(H,28,29)/b8-7-,11-10-,14-13-,17-16-/t23-/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=N[C@@H](C)C(=O)O)O