In-Silico Structure Database (LMISSD)
Common Name
Ala 7:0
Systematic Name
N-(heptanoyl)-alanine
LM ID
LMFA0805A039
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
201.136494
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)
YJUFKIPTTMRNGB-QMMMGPOBSA-N
InChi (Click to copy)
InChI=1S/C10H19NO3/c1-3-4-5-6-7-9(12)11-8(2)10(13)14/h8H,3-7H2,1-2H3,(H,11,12)(H,13,14)/t8-/m0/s1
SMILES (Click to copy)
CCCCCCC(=N[C@@H](C)C(=O)O)O