input word = C00016955

Metabolite InformationStructural formula
Name Promothiocin B
SF 2741B
Formula C42H43N13O10S2
Mw 953.26972615
CAS RN 156737-06-3
C_ID C00016955 ,
InChIKey GQPGNOKIVRVCQB-UHFFFAOYNA-N
InChICode InChI=1S/C42H43N13O10S2/c1-15(2)28-38(62)44-12-27-53-30(22(9)64-27)39(63)49-20(7)41-51-25(13-66-41)36(60)48-19(6)40-55-29(21(8)65-40)31-23(42-52-26(14-67-42)37(61)54-28)10-11-24(50-31)35(59)47-18(5)34(58)46-17(4)33(57)45-16(3)32(43)56/h10-11,13-15,19-20,28H,3-5,12H2,1-2,6-9H3,(H2,43,56)(H,44,62)(H,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,63)(H,54,61)/t19-,20-,28+/m0/s1
SMILES N1[C@H](c2nc(C(=O)N[C@H](c3nc(c4nc(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)ccc4c4nc(C(=O)N[C@@H](C(=O)NCc5nc(c(o5)C)C1=O)C(C)C)cs4)c(o3)C)C)cs2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. SF2741 Ref.
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OrganismStreptomyces sp. SF2741
ReferenceYun,J.Antibiotics 47,(1994),510