input word = C00016521

Metabolite InformationStructural formula
Name Thiazinotrienomycin D
Formula C38H49N3O8S
Mw 707.32403629
CAS RN 165337-96-2
C_ID C00016521 ,
InChIKey NVTIRGZIENXFCP-SXKMVIMWNA-N
InChICode InChI=1S/C38H49N3O8S/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/h5-7,11-12,14-15,17,21,24-25,27,31,34,44-45H,8-10,13,16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5-,12-7+,17-11+,23-14+/t24-,25+,27-,31+,34+/m0/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)C1=CCCCC1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ672-m3 Ref.
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