input word = C00047515

Metabolite InformationStructural formula
Name Micropeptin E
(-)-Micropeptin E
Formula C50H71N7O14
Mw 993.50590003
CAS RN 914606-81-8
C_ID C00047515 ,
InChIKey FDGKXYTYNOAXMH-IZTMYIIYNA-N
InChICode InChI=1S/C50H71N7O14/c1-7-9-11-13-39(60)51-34(23-25-41(62)63)44(64)55-43-29(5)71-50(70)42(28(3)4)54-46(66)38(27-31-16-20-33(59)21-17-31)56(6)49(69)37(12-10-8-2)57-40(61)24-22-35(48(57)68)52-45(65)36(53-47(43)67)26-30-14-18-32(58)19-15-30/h14-21,28-29,34-38,40,42-43,58-59,61H,7-13,22-27H2,1-6H3,(H,51,60)(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,62,63)/t29-,34+,35+,36+,37+,38+,40-,42+,43+/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)CCCC)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) L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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