input word = C00016620

Metabolite InformationStructural formula
Name Napsamycin C
Formula C39H50N8O12S
Mw 854.32688985
CAS RN 144379-26-0
C_ID C00016620 ,
InChIKey MFEPAAMYDYMBSN-XHPQRKPJNA-N
InChICode InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-/t20-,27-,28-,29-,30-,32-,36-/m1/s1
SMILES N(C(=O)[C@H](NC(=O)N[C@H](Cc1cc(ccc1)O)C(=O)O)CCSC)[C@H]([C@H](N(C(=O)[C@@H]1NCc2ccc(cc2C1)O)C)C)C(=O)N/C=C/1\O[C@H]([C@@H](C1)O)N1C(=O)NC(=O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HIL Y-8211372 Ref.
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