input word = C00045403

Metabolite InformationStructural formula
Name Schizopeptin 791
Formula C42H61N7O8
Mw 791.45816198
CAS RN 455951-71-0
C_ID C00045403 ,
InChIKey UHGIIADZWWCEKS-XTXSOFRTNA-N
InChICode InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
SMILES C1(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCCN1)NC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)[C@H](CC)C)CCc1ccccc1)C)C)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Schizothrix sp. Ref.
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