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 CC(=O)N[C@H]1c2nc(CC(=O)O)cn2[C@H](CO)[C@H](O)[C@@H]1O
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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