input word = C00042743

Metabolite InformationStructural formula
Name Micropeptin 88-Y
Formula C55H72N8O15
Mw 1084.51171369
CAS RN 844636-95-9
C_ID C00042743 ,
InChIKey ROXJSZHCCCSPST-WYUVBFLINA-N
InChICode InChI=1S/C55H72N8O15/c1-8-30(4)45-55(77)78-31(5)46(60-43(67)24-22-39(54(75)76)58-48(69)40(56-32(6)64)26-34-14-18-36(65)19-15-34)51(72)59-41(27-35-16-20-37(66)21-17-35)49(70)57-38-23-25-44(68)63(52(38)73)47(29(2)3)53(74)62(7)42(50(71)61-45)28-33-12-10-9-11-13-33/h9-21,29-31,38-42,44-47,65-66,68H,8,22-28H2,1-7H3,(H,56,64)(H,57,70)(H,58,69)(H,59,72)(H,60,67)(H,61,71)(H,75,76)/t30-,31+,38-,39-,40-,41-,42-,44+,45-,46-,47-/m0/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C2=O)Cc1ccc(cc1)O)NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)C(=O)O)C)[C@@H](C)CC)Cc1ccccc1)C)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-88 Ref.
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