input word = C00027845

Metabolite InformationStructural formula
Name Anabaenopeptin F
Formula C42H62N10O9
Mw 850.47012365
CAS RN 226416-60-0
C_ID C00027845 ,
InChIKey RAUPUVQHUFXDQT-BLXFGVBLNA-N
InChICode InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31+,32+,33+,34-/m1/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@H](C)CC)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Oscillatoria agardhii Ref.
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