In-Silico Structure Database (LMISSD)

Common Name
DOPA 17:0
Systematic Name
N-(heptadecanoyl)-dihydroxyphenylalanine
LM ID
LMFA0805A275
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
449.314124
Formula
C26H43NO5
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)
CKGKDSRIULVAEK-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(30)27-22(26(31)32)19-21-17-18-23(28)24(29)20-21/h17-18,20,22,28-29H,2-16,19H2,1H3,(H,27,30)(H,31,32)/t22-/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCC(=N[C@@H](Cc1ccc(c(c1)O)O)C(=O)O)O

References

Other Databases