input word = C00027872

Metabolite InformationStructural formula
Name Ansamycin
Formula C46H62N4O11
Mw 846.44150885
CAS RN 72559-06-9
C_ID C00027872 ,
InChIKey KTYFUEQGJABZDI-CJDONMEANA-N
InChICode InChI=1S/C46H62N4O11/c1-12-24(4)50-19-17-46(18-20-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-21-16-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)22(2)14-13-15-23(3)44(57)47-36(40(32)55)35(34)49-46/h13-16,21-22,24-27,30,37-38,41,49,52-54H,12,17-20H2,1-11H3,(H,47,57)/b14-13+,21-16+,23-15+/t22-,24+,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
SMILES [C@@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C)/C(=O)NC2=C3C(=N[C@]4(N3)CCN(CC4)[C@@H](CC)C)c3c(C2=O)c(c(c2c3C(=O)[C@@](O/C=C/[C@@H]1OC)(O2)C)C)O)C)O)C)O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. USF-319 Ref.
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