input word = C00047188

Metabolite InformationStructural formula
Name Bacillistatin 1
Formula C57H96N6O18
Mw 1152.67811031
CAS RN 1134099-76-5
C_ID C00047188 ,
InChIKey NWXOLMBBOHPPQK-ZYJBBVJLNA-N
InChICode InChI=1S/C57H96N6O18/c1-22-31(16)43-49(67)61-37(25(4)5)52(70)76-35(20)47(65)59-41(29(12)13)56(74)80-45(33(18)24-3)51(69)63-39(27(8)9)54(72)78-36(21)48(66)60-42(30(14)15)57(75)81-44(32(17)23-2)50(68)62-38(26(6)7)53(71)77-34(19)46(64)58-40(28(10)11)55(73)79-43/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t31-,32-,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)[C@@H](C)CC)C(C)C)C)C(C)C)[C@@H](C)CC)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus silvestris Ref.
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