input word = C00028585

Metabolite InformationStructural formula
Name Microginin 99A
Formula C40H58ClN5O8
Mw 771.39739158
CAS RN 217644-21-8
C_ID C00028585 ,
InChIKey HTPQUQPNAHWDPU-QMWPDCLXNA-N
InChICode InChI=1S/C40H58ClN5O8/c1-4-26(2)36(39(52)45(3)34(24-28-15-19-31(48)20-16-28)38(51)46-22-10-12-33(46)40(53)54)44-37(50)32(23-27-13-17-30(47)18-14-27)43-35(49)25-29(42)11-8-6-5-7-9-21-41/h13-20,26,29,32-34,36,47-48H,4-12,21-25,42H2,1-3H3,(H,43,49)(H,44,50)(H,53,54)/t26-,29-,32+,33+,34+,36+/m1/s1
SMILES c1cc(ccc1C[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C)[C@H](C)CC)NC(=O)C[C@@H](CCCCCCCCl)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-99 Ref.
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