input word = C00017695

Metabolite InformationStructural formula
Name Ashimycin A
Formula C27H47N7O18
Mw 757.29775775
CAS RN 123482-11-1
C_ID C00017695 ,
InChIKey ILBIJYYHQHTSRJ-UHFFFAOYNA-N
InChICode InChI=1S/C27H47N7O18/c1-6-26(45,5-37)19(21(47-6)50-17-10(34-25(30)31)12(38)9(33-24(28)29)13(39)15(17)41)52-20-11(32-2)14(40)16(7(3-35)48-20)51-23-27(46,22(43)44)18(42)8(4-36)49-23/h5-21,23,32,35-36,38-42,45-46H,3-4H2,1-2H3,(H,43,44)(H4,28,29,33)(H4,30,31,34)/t6-,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-,17-,18+,19+,20+,21+,23+,26+,27+/m0/s1
SMILES [C@H]1([C@@H]([C@@H]([C@@H]([C@@H]([C@H]1O)NC(=N)N)O)O)O[C@H]1O[C@H]([C@@]([C@@H]1O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]1O[C@@H]([C@H]([C@]1(C(=O)O)O)O)CO)O)NC)(C=O)O)C)NC(=N)N
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus FT3-4 Ref.
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