input word = C00018779

Metabolite InformationStructural formula
Name Azalomycin F3a
Azalomycin F3
Formula C55H93N3O17
Mw 1067.65049857
CAS RN 85113-97-9
C_ID C00018779 ,
InChIKey ULHDBFOECXSPOV-PPBGXASQNA-N
InChICode InChI=1S/C55H93N3O17/c1-32-17-14-19-36(5)51(35(4)16-12-10-8-9-11-13-23-58-54(56)57)74-53(71)37(6)20-15-18-33(2)45(63)29-46(64)38(7)43(61)22-21-34(3)48(66)31-55(72)52(70)47(65)28-42(75-55)26-39(59)24-41(25-40(60)27-44(32)62)73-50(69)30-49(67)68/h8-9,14-15,17-20,33-36,38-48,51-52,59-66,70,72H,10-13,16,21-31H2,1-7H3,(H,67,68)(H4,56,57,58)/b9-8+,18-15+,19-14+,32-17+,37-20-/t33-,34-,35+,36+,38-,39+,40-,41-,42-,43+,44+,45+,46-,47+,48+,51+,52-,55+/m0/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](O)CC[C@@H]([C@H](O)C[C@@]2([C@H]([C@@H](C[C@@H](O2)C[C@@H](C[C@@H](C[C@@H](C[C@H](/C(=C1)/C)O)O)OC(=O)CC(=O)O)O)O)O)O)C)C)O)O)C)/C)[C@H](C)CCC/C=C/CCCNC(=N)N)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus var. azalomyceticus K5-4 Ref.
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