input word = C00047513

Metabolite InformationStructural formula
Name Micropeptin C
(-)-Micropeptin C
Formula C53H69N7O14
Mw 1027.49024997
CAS RN 1137584-36-1
C_ID C00047513 ,
InChIKey IXBOOEYQWFLNRB-VGOSRCBYNA-N
InChICode InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-37(24-26-44(65)66)47(67)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(28-34-17-21-36(62)22-18-34)59(5)52(72)41(29-32-12-10-8-11-13-32)60-43(64)25-23-38(51(60)71)55-48(68)39(56-50(46)70)27-33-15-19-35(61)20-16-33/h8,10-13,15-22,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,23-29H2,1-5H3,(H,54,63)(H,55,68)(H,56,70)(H,57,69)(H,58,67)(H,65,66)/t31-,37+,38+,39+,40+,41+,43-,45+,46+/m1/s1
SMILES [C@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N1C2=O)Cc1ccccc1)C)Cc1ccc(cc1)O)C(C)C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCC)Cc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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