input word = C00039557

Metabolite InformationStructural formula
Name Kempopeptin B
Formula C46H73BrN8O11
Mw 992.45821813
CAS RN 1051915-46-8
C_ID C00039557 ,
InChIKey BESCRSMOIPNLKZ-ZSCYDUFCNA-N
InChICode InChI=1S/C46H73BrN8O11/c1-11-15-34(56)51-36(24(3)4)42(60)53-38-27(8)66-46(64)37(25(5)6)52-41(59)32(23-28-17-19-33(65-10)29(47)22-28)54(9)45(63)39(26(7)12-2)55-35(57)20-18-31(44(55)62)50-40(58)30(49-43(38)61)16-13-14-21-48/h17,19,22,24-27,30-32,35-39,57H,11-16,18,20-21,23,48H2,1-10H3,(H,49,61)(H,50,58)(H,51,56)(H,52,59)(H,53,60)/t26-,27+,30-,31-,32-,35-,36-,37-,38-,39+/m0/s1
SMILES [C@@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N1C2=O)[C@@H](C)CC)C)Cc1ccc(c(c1)Br)OC)C(C)C)C)NC(=O)[C@H](C(C)C)NC(=O)CCC)CCCCN)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya sp. Ref.
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