input word = C00016433

Metabolite InformationStructural formula
Name Thioactin
Formula C43H40N14O11S4
Mw 1056.18838114
CAS RN 161505-22-2
C_ID C00016433 ,
InChIKey OIADYYNTHJZNLB-UHFFFAOYNA-N
InChICode InChI=1S/C43H40N14O11S4/c1-16(32(44)59)46-35(62)22-8-7-21-31(51-22)23-10-67-40(53-23)18(3)48-33(60)17(2)47-37(64)26-14-71-42(55-26)19(4)49-36(63)25-13-70-29(50-25)9-45-34(61)24-11-68-41(54-24)28(12-69-6)52-39(66)30(20(5)58)57-38(65)27-15-72-43(21)56-27/h7-8,10-11,13-15,19-20,28,30,58H,1-3,9,12H2,4-6H3,(H2,44,59)(H,45,61)(H,46,62)(H,47,64)(H,48,60)(H,49,63)(H,52,66)(H,57,65)/t19-,20+,28-,30+/m0/s1
SMILES C=C(NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1csc(n1)C(C)NC(=O)c1csc(n1)CNC(=O)c1coc(n1)C(CSC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. DP94 Ref.
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