input word = C00016669

Metabolite InformationStructural formula
Name Geninthiocin
Formula C50H49N15O15S
Mw 1131.32532674
CAS RN 158792-27-9
C_ID C00016669 ,
InChIKey JNUIXQXFKIJDIV-KKMKTNMSNA-N
InChICode InChI=1S/C50H49N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-17,24,32,35,66,77H,2-7H2,1,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12+/t24-,32-,35+/m0/s1
SMILES c12nc(/C(=C\C)/NC(=O)[C@@H](NC(=O)c3nc(c4ccc(nc4c4nc(C(=C)NC(=O)C(=C)NC(=O)c5nc(C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC2=O)C(C)(C)O)oc5C)oc4)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)sc3)[C@@H](O)C)oc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. DD84 Ref.
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