input word = C00016432

Metabolite InformationStructural formula
Name Berninamycin D
Formula C45H45N13O13S
Mw 1007.29804935
CAS RN 161263-50-9
C_ID C00016432 ,
InChIKey ACYFBJUVNSGWDG-MYKKPKGFNA-N
InChICode InChI=1S/C45H45N13O13S/c1-11-24-43-57-30(22(8)71-43)39(66)48-17(3)35(62)58-32(45(9,10)68)40(67)50-19(5)42-56-29(21(7)70-42)38(65)47-16(2)34(61)49-18(4)41-53-26(14-69-41)31-23(12-13-25(51-31)33(46)60)44-54-27(15-72-44)36(63)55-28(20(6)59)37(64)52-24/h11-15,20,28,32,59,68H,2-5H2,1,6-10H3,(H2,46,60)(H,47,65)(H,48,66)(H,49,61)(H,50,67)(H,52,64)(H,55,63)(H,58,62)/b24-11-/t20-,28-,32-/m1/s1
SMILES [C@@H]1(C(=O)NC(=C)c2nc(C(=O)NC(=C)C(=O)NC(=C)c3nc(c4c(c5nc(C(=O)N[C@@H](C(=O)N/C(=C\C)/c6nc(C(=O)NC(=C)C(=O)N1)c(o6)C)[C@H](O)C)cs5)ccc(n4)C(=O)N)co3)c(o2)C)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces bernensis Ref.
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