input word = C00048828

Metabolite InformationStructural formula
Name Pompanopeptin B
Formula C51H71N7O11
Mw 957.52115616
CAS RN 1029262-72-3
C_ID C00048828 ,
InChIKey CQFDBEAGHPQKOL-MXTNUQISNA-N
InChICode InChI=1S/C51H71N7O11/c1-6-32(4)44(50(67)68)57-51(69)55-39-12-9-10-30-52-45(62)40(28-20-34-16-24-37(60)25-17-34)53-47(64)42(13-8-7-11-33-14-22-36(59)23-15-33)58(5)49(66)41(29-21-35-18-26-38(61)27-19-35)54-48(65)43(31(2)3)56-46(39)63/h14-19,22-27,31-32,39-44,59-61H,6-13,20-21,28-30H2,1-5H3,(H,52,62)(H,53,64)(H,54,65)(H,56,63)(H,67,68)(H2,55,57,69)/t32-,39+,40-,41?,42-,43-,44-/m0/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)CCCCc1ccc(cc1)O)CCc1ccc(cc1)O)NC(=O)N[C@H](C(=O)O)[C@@H](C)CC)C(C)C)CCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya confervoides Ref.
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