input word = C00016619

Metabolite InformationStructural formula
Name Napsamycin B
Formula C40H50N8O12S
Mw 866.32688985
CAS RN 144408-86-6
C_ID C00016619 ,
InChIKey UTIFRWPUJPPZEZ-XHPQRKPJNA-N
InChICode InChI=1S/C40H50N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-10,12,14,16,19-21,28-31,33,37,42,49-51H,11,13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-/t20-,21+,28+,29-,30-,31+,33+,37+/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]1N[C@@H](c2ccc(cc2C1)O)C)C)C)C(=O)N/C=C/1\O[C@@H]([C@H](C1)O)n1c(=O)[nH]c(=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HIL Y-8211372 Ref.
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