In-Silico Structure Database (LMISSD)
Common Name
Ile 20:2(11Z,14Z)
Systematic Name
N-(11Z,14Z-eicosadienoyl)-isoleucine
LM ID
LMFA0805A465
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
421.355594
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)
KAZCTYIJNPNPOY-GPVBCYPZSA-N
InChi (Click to copy)
InChI=1S/C26H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-25(26(29)30)23(3)5-2/h9-10,12-13,23,25H,4-8,11,14-22H2,1-3H3,(H,27,28)(H,29,30)/b10-9-,13-12-/t23-,25-/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C/C=C\CCCCCCCCCC(=N[C@@H]([C@@H](C)CC)C(=O)O)O