input word = C00028583

Metabolite InformationStructural formula
Name Microginin 299C
Formula C45H68N6O10
Mw 852.49969244
CAS RN 217644-19-4
C_ID C00028583 ,
InChIKey DTXKFCMLEVLURZ-BQVKDVGENA-N
InChICode InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/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](CCCCCCC)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 NIES-299 Ref.
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