In-Silico Structure Database (LMISSD)
Common Name
Ala 26:0
Systematic Name
N-(hexacosanoyl)-alanine
LM ID
LMFA0805A035
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
467.433844
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)
WFTWLQZOPHNINP-MHZLTWQESA-N
InChi (Click to copy)
InChI=1S/C29H57NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(31)30-27(2)29(32)33/h27H,3-26H2,1-2H3,(H,30,31)(H,32,33)/t27-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCCCCCC(=N[C@@H](C)C(=O)O)O