input word = C00045342

Metabolite InformationStructural formula
Name Micropeptin EI 964
Formula C46H64N10O13
Mw 964.46543221
CAS RN 449205-28-1
C_ID C00045342 ,
InChIKey WCCRMFNYIYCRFM-WFSBVUFYNA-N
InChICode InChI=1S/C46H64N10O13/c1-6-24(2)37-45(68)69-25(3)38(54-40(63)32(23-36(60)61)50-26(4)57)42(65)51-30(13-10-20-49-46(47)48)39(62)52-31-18-19-35(59)56(43(31)66)34(22-27-11-8-7-9-12-27)44(67)55(5)33(41(64)53-37)21-28-14-16-29(58)17-15-28/h7-9,11-12,14-17,24-25,30-35,37-38,58-59H,6,10,13,18-23H2,1-5H3,(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t24-,25+,30-,31+,32-,33-,34+,35+,37-,38-/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)C)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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