input word = C00039776

Metabolite InformationStructural formula
Name Miraziridine A
Formula C30H52N8O9
Mw 668.38572532
CAS RN 312322-94-4
C_ID C00039776 ,
InChIKey RCCNRKCJJRWUBV-XLSKQZQWNA-N
InChICode InChI=1S/C30H52N8O9/c1-6-18(26(43)34-17(9-10-23(41)42)8-7-11-33-30(31)32)35-22(40)14-21(39)19(12-15(2)3)36-27(44)20(13-16(4)5)37-28(45)24-25(38-24)29(46)47/h9-10,15-21,24-25,38-39H,6-8,11-14H2,1-5H3,(H,34,43)(H,35,40)(H,36,44)(H,37,45)(H,41,42)(H,46,47)(H4,31,32,33)/b10-9+/t17-,18-,19-,20-,21-,24+,25+/m0/s1
SMILES N1[C@H]([C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(=N)N)/C=C/C(=O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Theonella aff. mirabilis Ref.
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