input word = C00048199

Metabolite InformationStructural formula
Name Thiazomycin B
Formula C52H43N13O15S5
Mw 1249.16051145
CAS RN 905946-73-8
C_ID C00048199 ,
InChIKey OOHKUNIJVRTPMS-HNSNBQBZNA-N
InChICode InChI=1S/C52H43N13O15S5/c1-17(40(53)69)54-41(70)26-14-84-49(60-26)36-30(67)8-21-34(62-36)25-12-82-47(57-25)24-11-80-51(75)35-22-10-78-39(38(68)52(76)79-9-20-6-5-7-23(55-35)31(20)22)37(50-61-27(15-85-50)42(71)56-24)65-44(73)29-16-83-48(59-29)33(19(3)77-4)64-45(74)32(18(2)66)63-43(72)28-13-81-46(21)58-28/h5-8,12-16,18,24,32,37-39,55,66-68H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,56,71)(H,63,72)(H,64,74)(H,65,73)/b33-19+/t18-,24-,32+,37-,38+,39+/m0/s1
SMILES C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)N/C(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4[nH]c5cccc6c5c4COC2C(O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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OrganismAmycolatopsis fastidiosa
ReferenceZhang,J.Nat.Prod.,72,(2009),841