input word = C00018561

Metabolite InformationStructural formula
Name Neocopiamycin
Neocopiamycin A
Formula C53H93N3O17
Mw 1043.65049857
CAS RN 89989-28-6
C_ID C00018561 ,
InChIKey GZWCSBWYVZFWGF-LZBVVWAXNA-N
InChICode InChI=1S/C53H93N3O17/c1-30(14-12-10-8-9-11-13-21-56-52(54)55)22-34(5)50-33(4)16-19-41(59)35(6)43(61)24-37(57)23-38(71-49(68)28-47(65)66)25-39-26-45(63)51(69)53(70,73-39)29-46(64)32(3)15-18-40(58)36(7)44(62)27-42(60)31(2)17-20-48(67)72-50/h8-9,16-17,19-20,30-46,50-51,57-64,69-70H,10-15,18,21-29H2,1-7H3,(H,65,66)(H4,54,55,56)/b9-8-,19-16+,20-17+/t30-,31+,32+,33-,34-,35+,36?,37+,38+,39+,40-,41-,42-,43+,44+,45-,46-,50+,51+,53+/m1/s1
SMILES [C@H]1(C[C@]2([C@H]([C@@H](C[C@H](C[C@H](C[C@@H](C[C@@H]([C@H]([C@@H](/C=C/[C@H]([C@H](OC(=O)/C=C/[C@@H]([C@@H](C[C@@H]([C@H]([C@@H](CC[C@@H]1C)O)C)O)O)C)[C@H](C)C[C@H](C)CCC/C=C\CCCNC(=N)N)C)O)C)O)O)OC(=O)CC(=O)O)O2)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus var. crystallogenes IMF 1136 (ATCC 19040) Ref.
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