input word = C00018587

Metabolite InformationStructural formula
Name Ascamycin
Formula C13H18ClN7O7S
Mw 451.06769442
CAS RN 91432-48-3
C_ID C00018587 ,
InChIKey LZMCAAGVMFMSKC-UVVWWVQGNA-N
InChICode InChI=1S/C13H18ClN7O7S/c1-4(15)11(24)20-29(25,26)27-2-5-7(22)8(23)12(28-5)21-3-17-6-9(16)18-13(14)19-10(6)21/h3-5,7-8,12,22-23H,2,15H2,1H3,(H,20,24)(H2,16,18,19)/t4-,5+,7+,8+,12-/m0/s1
SMILES c12c(c(nc(n1)Cl)N)ncn2[C@@H]1[C@@H]([C@@H]([C@H](O1)COS(=O)(=O)NC(=O)[C@H](C)N)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. Ref.
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