In-Silico Structure Database (LMISSD)

Common Name
Ala 17:2(9Z,12Z)
Systematic Name
N-(9Z,12Z-heptadecadienoyl)-alanine
LM ID
LMFA0805A012
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
337.261694
Formula
C20H35NO3
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
AXNCTEJUUSLZGZ-RKRHOQAZSA-N
InChi (Click to copy)
InChI=1S/C20H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(2)20(23)24/h6-7,9-10,18H,3-5,8,11-17H2,1-2H3,(H,21,22)(H,23,24)/b7-6-,10-9-/t18-/m0/s1
SMILES (Click to copy)
CCCC/C=C\C/C=C\CCCCCCCC(=N[C@@H](C)C(=O)O)O

References

Other Databases