In-Silico Structure Database (LMISSD)

Common Name
2-Aminoadipic acid 21:0
Systematic Name
N-(heneicosanoyl)-2-aminoadipic acid
LM ID
LMFA0805B212
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
469.376724
Formula
C27H51NO5
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)
LBKMSSJHYVBUJB-XMMPIXPASA-N
InChi (Click to copy)
InChI=1S/C27H51NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(29)28-24(27(32)33)21-20-23-26(30)31/h24H,2-23H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t24-/m1/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCC(=N[C@H](CCCC(=O)O)C(=O)O)O

References

Other Databases