C00016521 - Streptomyces sp. MJ672-m3
C_ID C00016521
CAS RN 165337-96-2
Metabolite Thiazinotrienomycin D
Molecular Formula C38H49N3O8S
Organism Streptomyces sp. MJ672-m3
Kingdom Bacteria
Family Streptomycetaceae
Genus Streptomyces
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
InChI 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
InChIKey NVTIRGZIENXFCP-SXKMVIMWNA-N
Reference Hosokawa,J.Antibiotics 48,(1995),471
Structural formula image