input word = C00048203

Metabolite InformationStructural formula
Name Thiazomycin E2
Formula C41H38N12O14S5
Mw 1082.12339766
CAS RN 905946-75-0
C_ID C00048203 ,
InChIKey ORMJUQMAZVTCKY-OYKKKHCWNA-N
InChICode InChI=1S/C41H38N12O14S5/c1-12(30(42)59)43-31(60)18-9-71-39(48-18)26-22(56)5-15-25(50-26)17-7-69-37(45-17)16(6-54)44-32(61)19-10-72-40(49-19)27(28(57)29(58)41(65)66)53-34(63)21-11-70-38(47-21)24(14(3)67-4)52-35(64)23(13(2)55)51-33(62)20-8-68-36(15)46-20/h5,7-11,13,16,23,27-29,54-58H,1,6H2,2-4H3,(H2,42,59)(H,43,60)(H,44,61)(H,51,62)(H,52,64)(H,53,63)(H,65,66)/b24-14+/t13-,16+,23-,27+,28-,29+/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)NC(C(O)C(O)C(=O)O)c2nc(cs2)C(=O)NC(CO)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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