input word = C00039401

Metabolite InformationStructural formula
Name Ichthyopeptin B
Formula C49H70N8O13
Mw 978.50623438
CAS RN 946828-33-7
C_ID C00039401 ,
InChIKey NHPPMAWJZKSRGC-MKYIPNFZNA-N
InChICode InChI=1S/C49H70N8O13/c1-9-26(5)39-45(65)51-32-20-21-37(61)57(47(32)67)41(27(6)10-2)48(68)56(8)34(22-29-14-12-11-13-15-29)43(63)53-38(25(3)4)49(69)70-28(7)40(46(66)54-39)55-42(62)33(24-36(50)60)52-44(64)35(59)23-30-16-18-31(58)19-17-30/h11-19,25-28,32-35,37-41,58-59,61H,9-10,20-24H2,1-8H3,(H2,50,60)(H,51,65)(H,52,64)(H,53,63)(H,54,66)(H,55,62)/t26-,27-,28+,32-,33-,34-,35+,37+,38-,39-,40-,41-/m0/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C2=O)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](O)Cc1ccc(cc1)O)CC(=O)N)C)C(C)C)Cc1ccccc1)C)[C@H](CC)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Microcystis ichthyoblabe Ref.
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