input word = C00028581

Metabolite InformationStructural formula
Name Microginin 299A
Formula C45H67ClN6O10
Mw 886.46072011
CAS RN 194475-27-9
C_ID C00028581 ,
InChIKey GTUNZCVHPMEXMH-BQVKDVGENA-N
InChICode InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
SMILES C1CC[C@H](N1C(=O)[C@H](Cc1ccc(cc1)O)N(C(=O)[C@@H](N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](CCCCCCCCl)N)O)C(C)C)C(C)C)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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