input word = C00016249

Metabolite InformationStructural formula
Name Antibiotic RS 22A
Kanchanamycin C
Formula C54H91N3O17
Mw 1053.6348485
CAS RN 163565-45-5
C_ID C00016249 ,
InChIKey RMHABCFPUZPVNZ-ZNOUZXAONA-N
InChICode InChI=1S/C54H91N3O17/c1-32-16-12-13-20-49(68)73-51(35(4)17-11-9-7-8-10-14-23-57-53(55)56)36(5)19-15-18-33(2)43(61)26-39(59)24-38(58)25-40(72-50(69)30-48(66)67)27-41-28-46(64)52(70)54(71,74-41)31-47(65)34(3)21-22-42(60)37(6)45(63)29-44(32)62/h7-8,12-13,15-16,18-20,32,34-47,51-52,58-65,70-71H,9-11,14,17,21-31H2,1-6H3,(H,66,67)(H4,55,56,57)/b8-7-,16-12+,19-15+,20-13-,33-18+/t32-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+,47+,51+,52-,54-/m1/s1
SMILES C\1=C/[C@@H]([C@@H](OC(=O)/C=C\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[C@H](/C(=C1)/C)O)O)O)OC(=O)CC(=O)O)C[C@H](O)[C@H]2O)O)O)C)O)C)O)O)C)[C@H](CCC/C=C\CCCNC(=N)N)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces olivaceus Tu 4018 Ref.
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