input word = C00016609

Metabolite InformationStructural formula
Name 2-Demethylazalomycin F4a
Formula C55H93N3O17
Mw 1067.65049857
CAS RN 171595-32-7
C_ID C00016609 ,
InChIKey AQRJZDXKNNHWLN-IEPASRFFNA-N
InChICode InChI=1S/C55H93N3O17/c1-33-17-13-14-21-50(69)74-52(36(4)18-12-10-8-9-11-15-24-58-54(56)57-7)37(5)20-16-19-34(2)44(62)27-40(60)25-39(59)26-41(73-51(70)31-49(67)68)28-42-29-47(65)53(71)55(72,75-42)32-48(66)35(3)22-23-43(61)38(6)46(64)30-45(33)63/h8-9,13-14,16-17,19-21,33,35-48,52-53,59-66,71-72H,10-12,15,18,22-32H2,1-7H3,(H,67,68)(H3,56,57,58)/b9-8+,17-13+,20-16+,21-14-,34-19+/t33-,35+,36+,37?,38+,39+,40-,41+,42-,43-,44+,45-,46+,47+,48-,52-,53-,55-/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]([C@H]2O)O)O)O)C)O)C)O)O)C)[C@H](CCC/C=C/CCCNC(=N)NC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
--Actinomycete sp. HIL Y-9120362 Ref.
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