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 c12cc(c(nc1c1csc(n1)[C@H]1NC(=O)c3nc(sc3)[C@@H](NC(=O)c3nc(/C(=C(\OC)/C)/NC(=O)[C@H](NC(=O)c4nc2sc4)[C@H](C)O)sc3)[C@H]2OCc3c(C(=O)OC1)[nH]c1c3c(ccc1)COC(=O)[C@@H]2O)c1scc(n1)C(=O)NC(=C)C(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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