input word = C00016797

Metabolite InformationStructural formula
Name Pradimicin FS
Formula C41H46N2O23S
Mw 966.22120653
CAS RN 146446-03-9
C_ID C00016797 ,
InChIKey NXBPDHXFSCZHOH-FFWWAHELNA-N
InChICode InChI=1S/C41H46N2O23S/c1-11-5-17-24(31(51)21(11)38(55)43-18(9-44)39(56)57)23-15(8-16-25(32(23)52)28(48)14-6-13(61-4)7-19(46)22(14)27(16)47)29(49)35(17)64-40-33(53)36(26(42-3)12(2)62-40)65-41-34(54)37(66-67(58,59)60)30(50)20(10-45)63-41/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-54H,9-10H2,1-4H3,(H,43,55)(H,56,57)(H,58,59,60)/t12-,18-,20-,26+,29-,30-,33-,34-,35-,36+,37+,40+,41+/m1/s1
SMILES CN[C@H]1C(C)O[C@@H](OC2c3cc(C)c(C(=O)NC(CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](OS(=O)(=O)O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura spinosa AA0851 Ref.
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