input word = C00014996

Metabolite InformationStructural formula
Name Bafilomycin C1 amide
Formula C39H61NO11
Mw 719.4244618
CAS RN 695189-31-2
C_ID C00014996 ,
InChIKey FVEPTFOBWXDHAK-BKWJOFFLNA-N
InChICode InChI=1S/C39H61NO11/c1-21(2)36-26(7)31(49-33(42)16-15-32(40)41)20-39(46,51-36)28(9)35(44)27(8)37-29(47-10)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-30(48-11)38(45)50-37/h12-16,18-19,21,24-29,31,34-37,43-44,46H,17,20H2,1-11H3,(H2,40,41)/b14-12+,16-15+,22-13+,23-18+,30-19-/t24-,25+,26-,27-,28-,29-,31+,34-,35+,36-,37+,39+/m0/s1
SMILES CO/C1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(N)=O)[C@H](C)C(C(C)C)O2)OC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeKitasatospora cheerisanensis YC75 Ref.
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