input word = C00018780

Metabolite InformationStructural formula
Name Azalomycin F4
Azalomycin F4a
Formula C56H95N3O17
Mw 1081.66614863
CAS RN 81545-42-8
C_ID C00018780 ,
InChIKey VVTOEWSNSYMJKD-PJWOVMMENA-N
InChICode InChI=1S/C56H95N3O17/c1-33-18-15-20-37(5)52(36(4)17-13-11-9-10-12-14-24-59-55(57)58-8)75-54(72)38(6)21-16-19-34(2)46(64)30-47(65)39(7)44(62)23-22-35(3)49(67)32-56(73)53(71)48(66)29-43(76-56)27-40(60)25-42(26-41(61)28-45(33)63)74-51(70)31-50(68)69/h9-10,15-16,18-21,34-37,39-49,52-53,60-67,71,73H,11-14,17,22-32H2,1-8H3,(H,68,69)(H3,57,58,59)/b10-9+,19-16+,20-15+,33-18+,38-21-/t34-,35+,36-,37+,39+,40+,41+,42-,43+,44-,45-,46+,47-,48+,49+,52+,53-,56+/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)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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