input word = C00048204

Metabolite InformationStructural formula
Name Thiazomycin E3
Formula C38H35N11O13S5
Mw 1013.10193394
CAS RN 905946-76-1
C_ID C00048204 ,
InChIKey JOFGHASJDDDCJI-UUYOSTAYNA-N
InChICode InChI=1S/C38H35N11O13S5/c1-11(51)21-32(59)48-22(12(2)62-3)35-44-19(10-66-35)31(58)49-25(26(53)27(54)38(60)61)37-45-17(9-67-37)29(56)40-14(5-50)34-41-15(6-64-34)23-13(33-43-18(8-63-33)30(57)47-21)4-20(52)24(46-23)36-42-16(7-65-36)28(39)55/h4,6-11,14,21,25-27,50-54H,5H2,1-3H3,(H2,39,55)(H,40,56)(H,47,57)(H,48,59)(H,49,58)(H,60,61)/b22-12-/t11-,14-,21-,25-,26-,27+/m0/s1
SMILES CO/C(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)C(CO)NC(=O)c2csc(n2)C(C(O)C(O)C(=O)O)NC(=O)c2csc1n2
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