input word = C00016747

Metabolite InformationStructural formula
Name Nagstatin
Nagstatine
Formula C12H17N3O6
Mw 299.1117353
CAS RN 126844-81-3
C_ID C00016747 ,
InChIKey XPJWMTPRJTUTBX-PUHCEXAONA-N
InChICode InChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)/t7-,9-,10-,11+/m1/s1
SMILES [C@@H]1([C@H]([C@H](c2n([C@@H]1CO)cc(n2)CC(=O)O)NC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces amakusaensis MG846-fF3 Ref.
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