input word = C00016894

Metabolite InformationStructural formula
Name Cyanopeptolin B
Formula C46H72N8O12
Mw 928.52696982
CAS RN 152839-29-7
C_ID C00016894 ,
InChIKey KSVGOBQTQGOLQM-UHFFFAOYNA-N
InChICode InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31+,32+,33-,34+,36+,38-,39+/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)CCCCN)NC(=O)[C@H](NC(=O)CCCCC)CC(=O)O)C)C(C)C)Cc1ccccc1)C)CC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Microcystis sp. PCC 7806 Ref.
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