input word = C00016518

Metabolite InformationStructural formula
Name Thiazinotrienomycin A
Formula C38H49N3O8S
Mw 707.32403629
CAS RN 165337-93-9
C_ID C00016518 ,
InChIKey SLZPTPUBMSQVAK-ZVIQSVCZNA-N
InChICode InChI=1S/C38H49N3O8S/c1-23-14-13-17-27-20-29-36(50-22-32(43)40-29)33(35(27)45)41-31(42)21-28(48-4)18-11-6-5-7-12-19-30(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14-15,18,20,24-25,28,30,34,44-45H,8-10,13,16-17,19,21-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,42)/b6-5+,12-7+,18-11+,23-14+/t24-,25+,28+,30-,34-/m0/s1
SMILES C\1=C/C=C/C=C/[C@H](CC(=O)Nc2c(c(CC/C=C(/[C@@H]([C@H]([C@H](C1)OC(=O)[C@@H](C)NC(=O)C1=CCCCC1)C)O)\C)cc1c2SCC(=O)N1)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ672-m3 Ref.
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