input word = C00039400

Metabolite InformationStructural formula
Name Ichthyopeptin A
Formula C53H70N8O14
Mw 1042.501149
CAS RN 946828-32-6
C_ID C00039400 ,
InChIKey HUXQLCBYRTWEFS-TXSRQMQGNA-N
InChICode InChI=1S/C53H70N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-20,28-30,36-40,42-45,62-64,66H,7,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30+,36-,37-,38-,39+,40+,42+,43-,44-,45-/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)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](O)Cc1ccc(cc1)O)CCC(=O)N)C)[C@H](CC)C)Cc1ccccc1)C)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Microcystis ichthyoblabe Ref.
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OrganismMicrocystis ichthyoblabe
ReferenceZainuddin,J.Nat.Prod.,70,(2007),1084