input word = C00045343

Metabolite InformationStructural formula
Name Micropeptin EI 992
(-)-Micropeptin EI 992
Formula C48H68N10O13
Mw 992.49673233
CAS RN 449205-27-0
C_ID C00045343 ,
InChIKey YISRXUQQIVQAHS-OTCICQIGNA-N
InChICode InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27+,31-,32+,33-,34-,35+,37+,39-,40-/m0/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@H](CC)C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CCC)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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OrganismMicrocystis aeruginosa
ReferencePloutno,J.Nat.Prod.,65,(2002),973