input word = C00031958

Metabolite InformationStructural formula
Name Konbamide
Formula C40H61BrN8O9
Mw 876.37448851
CAS RN 136466-02-9
C_ID C00031958 ,
InChIKey IRQKCNXTPLZHBI-UHFFFAOYNA-N
InChICode InChI=1S/C40H61BrN8O9/c1-9-20(4)30-38(55)49(8)32(22(6)11-3)37(54)45-29(19-26-25-18-24(50)15-16-27(25)44-33(26)41)35(52)42-17-13-12-14-28(36(53)43-23(7)34(51)47-30)46-40(58)48-31(39(56)57)21(5)10-2/h15-16,18,20-23,28-32,44,50H,9-14,17,19H2,1-8H3,(H,42,52)(H,43,53)(H,45,54)(H,47,51)(H,56,57)(H2,46,48,58)/t20-,21-,22-,23+,28+,29-,30+,31+,32+/m1/s1
SMILES N1C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC1)NC(=O)N[C@@H]([C@@H](CC)C)C(=O)O)C)[C@H](C)CC)C)[C@@H](CC)C)Cc1c([nH]c2c1cc(cc2)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Theonella sp. Ref.
--Theonella swinhoei Ref.
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