input word = C00016522

Metabolite InformationStructural formula
Name (+)-Thiazinotrienomycin E
Thiazinotrienomycin E
Formula C38H51N3O8S
Mw 709.33968636
CAS RN 165337-97-3
C_ID C00016522 ,
InChIKey FZQITFWYBUDNRH-YLGHYYGZNA-N
InChICode InChI=1S/C38H51N3O8S/c1-23-14-13-18-28-35(45)29(21-30-36(28)50-22-33(43)41-30)40-32(42)20-27(48-4)17-11-6-5-7-12-19-31(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14,17,21,24-27,31,34,44-45H,8-10,13,15-16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5-,12-7-,17-11+,23-14+/t24-,25-,27+,31+,34+/m1/s1
SMILES CO[C@H]1/C=C/C=CC=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ672-m3 Ref.
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