input word = C00016520

Metabolite InformationStructural formula
Name Thiazinotrienomycin C
Formula C36H49N3O8S
Mw 683.32403629
CAS RN 165337-95-1
C_ID C00016520 ,
InChIKey SLGSWDUTFSZPCE-FHZVAWBCNA-N
InChICode InChI=1S/C36H49N3O8S/c1-21(2)17-30(40)37-24(5)36(45)47-29-16-11-9-7-8-10-14-25(46-6)18-31(41)38-27-19-28-35(48-20-32(42)39-28)26(34(27)44)15-12-13-22(3)33(43)23(29)4/h7-11,13-14,19,21,23-25,29,33,43-44H,12,15-18,20H2,1-6H3,(H,37,40)(H,38,41)(H,39,42)/b8-7-,11-9+,14-10+,22-13+/t23-,24+,25-,29+,33-/m1/s1
SMILES C\1=C/C[C@@H]([C@H]([C@@H](/C(=C/CCc2c(c(NC(=O)C[C@@H](/C=C/C=C1)OC)cc1c2SCC(=O)N1)O)/C)O)C)OC(=O)[C@H](C)NC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ672-m3 Ref.
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