input word = C00018829

Metabolite InformationStructural formula
Name Scopafungin
NSC 107041
Nificin
Niphimycin Ialpha
U 29479
Formula C59H103N3O18
Mw 1141.72366351
CAS RN 11056-18-1
C_ID C00018829 ,
InChIKey VAYOSPAPALLOIO-IGORXVEANA-N
InChICode InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43(78-54(74)32-53(72)73)29-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16+,24-21+/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,55-,56+,59-/m1/s1
SMILES C\1=C/[C@H]([C@@H](OC(=O)[C@H]([C@@H](O)/C=C/[C@H]([C@H](C[C@H]([C@H]([C@H](CC[C@H]([C@@H](C[C@]2(O[C@H](C[C@@H](C[C@@H](C[C@@H]([C@@H]([C@H](/C=C1)O)C)O)O)OC(=O)CC(=O)O)C[C@@H](O)[C@@H]2O)O)O)C)O)C)O)O)C)C)[C@H](C)C[C@H](C)CCC/C=C/CCCNC(=N)NC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus var. enhygrus var. nov. Ref.
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