input word = C00016331

Metabolite InformationStructural formula
Name Cyclothialidine B
Formula C25H33N5O11S
Mw 611.18972767
CAS RN 194276-76-1
C_ID C00016331 ,
InChIKey FYYGQGDAPAQONZ-HQDBNOCPNA-N
InChICode InChI=1S/C25H33N5O11S/c1-10(26)23(37)30-4-3-17(32)19(30)22(36)28-15-7-41-25(40)13-5-12(31)6-18(33)14(13)8-42-9-16(29-20(15)34)21(35)27-11(2)24(38)39/h5-6,10-11,15-17,19,31-33H,3-4,7-9,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,34)(H,38,39)/t10-,11-,15-,16-,17+,19-/m0/s1
SMILES C1(=O)N[C@@H](CSCc2c(C(=O)OC[C@@H]1NC(=O)[C@H]1N(CC[C@H]1O)C(=O)[C@H](C)N)cc(cc2O)O)C(=O)N[C@H](C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. NR 0659 Ref.
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