input word = C00018781

Metabolite InformationStructural formula
Name Azalomycin F5
Formula C57H97N3O17
Mw 1095.6817987
CAS RN 85113-99-1
C_ID C00018781 ,
InChIKey ULHJRSBSTUGEPH-OVHZHYLBNA-N
InChICode InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17+,21-16+,34-19+,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/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](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/CCCN=C(NC)NC)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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