input word = C00046609

Metabolite InformationStructural formula
Name Anabaenopeptin J
(-)-Anabaenopeptin J
Formula C41H59N7O9
Mw 793.43742653
CAS RN 294841-75-1
C_ID C00046609 ,
InChIKey QRBPBHIXDXCIEN-SXUSFRSUNA-N
InChICode InChI=1S/C41H59N7O9/c1-7-25(4)34(40(55)56)47-41(57)45-30-15-11-12-22-42-36(51)32(23-28-13-9-8-10-14-28)44-35(50)26(5)48(6)39(54)31(21-18-27-16-19-29(49)20-17-27)43-38(53)33(24(2)3)46-37(30)52/h8-10,13-14,16-17,19-20,24-26,30-34,49H,7,11-12,15,18,21-23H2,1-6H3,(H,42,51)(H,43,53)(H,44,50)(H,46,52)(H,55,56)(H2,45,47,57)/t25-,26-,30+,31-,32-,33-,34-/m0/s1
SMILES [C@@H]1(C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)CCc1ccc(cc1)O)C(C)C)NC(=O)N[C@H](C(=O)O)[C@H](CC)C)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeAphanizomenon flos-aquae NIES-81 Ref.
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