input word = C00048201

Metabolite InformationStructural formula
Name Thiazomycin D
Formula C59H55N13O19S5
Mw 1409.23407032
CAS RN 905946-71-6
C_ID C00048201 ,
InChIKey UZZVXLOCAWZSCJ-NNLKUIAGNA-N
InChICode InChI=1S/C59H55N13O19S5/c1-20(46(60)76)61-47(77)29-17-95-55(66-29)40-34(74)10-25-39(68-40)28-15-93-53(63-28)27-14-89-57(82)42-26-13-87-43(44(91-35-11-59(5,84)45(75)23(4)90-35)58(83)88-12-24-8-7-9-33(36(24)26)72(42)85)41(56-67-30(18-96-56)48(78)62-27)71-50(80)32-19-94-54(65-32)38(22(3)86-6)70-51(81)37(21(2)73)69-49(79)31-16-92-52(25)64-31/h7-10,15-19,21,23,27,35,37,41,43-45,73-75,84-85H,1,11-14H2,2-6H3,(H2,60,76)(H,61,77)(H,62,78)(H,69,79)(H,70,81)(H,71,80)/b38-22+/t21-,23+,27-,35-,37-,41+,43+,44-,45+,59+/m1/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)n(c1c3c(ccc1)COC(=O)[C@@H]2O[C@@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)O)O)c1scc(n1)C(=O)NC(=C)C(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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