In-Silico Structure Database (LMISSD)
Common Name
Ile 22:5(7Z,10Z,13Z,16Z,19Z)
Systematic Name
N-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-isoleucine
LM ID
LMFA0805A473
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
443.339944
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)
UPGRBPPGJPMQOW-FTMFWXKZSA-N
InChi (Click to copy)
InChI=1S/C28H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(30)29-27(28(31)32)25(3)5-2/h6-7,9-10,12-13,15-16,18-19,25,27H,4-5,8,11,14,17,20-24H2,1-3H3,(H,29,30)(H,31,32)/b7-6-,10-9-,13-12-,16-15-,19-18-/t25-,27-/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]([C@@H](C)CC)C(=O)O)O