In-Silico Structure Database (LMISSD)
Common Name
Ala 18:3(9Z,12Z,15Z)
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-alanine
LM ID
LMFA0805A016
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
349.261694
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)
ITSDHMHTDYCNNM-QAXLIASNSA-N
InChi (Click to copy)
InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h4-5,7-8,10-11,19H,3,6,9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b5-4-,8-7-,11-10-/t19-/m0/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=N[C@@H](C)C(=O)O)O