In-Silico Structure Database (LMISSD)
Common Name
Ala 4:0
Systematic Name
N-(butanoyl)-alanine
LM ID
LMFA0805A036
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
159.089544
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)
DTIMTCJMOWXMGT-YFKPBYRVSA-N
InChi (Click to copy)
InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
SMILES (Click to copy)
CCCC(=N[C@@H](C)C(=O)O)O