input word = C00047189

Metabolite InformationStructural formula
Name Bacillistatin 2
(+)-Bacillistatin 2
Formula C57H96N6O18
Mw 1152.67811031
CAS RN 1126975-19-6
C_ID C00047189 ,
InChIKey KVJGVUIUGIEWCD-LQJJUZODNA-N
InChICode InChI=1S/C57H96N6O18/c1-22-32(17)44-50(68)62-39(27(7)8)53(71)77-34(19)46(64)58-41(29(11)12)55(73)79-37(24-25(3)4)49(67)61-38(26(5)6)52(70)76-35(20)47(65)59-42(30(13)14)56(74)80-45(33(18)23-2)51(69)63-40(28(9)10)54(72)78-36(21)48(66)60-43(31(15)16)57(75)81-44/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t32-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+/m0/s1
SMILES C1(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H]1C)C(C)C)[C@H](CC)C)C(C)C)C)C(C)C)CC(C)C)C(C)C)C)C(C)C)[C@@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus silvestris Ref.
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