input word = C00016895

Metabolite InformationStructural formula
Name Cyanopeptolin C
Formula C47H74N8O12
Mw 942.54261989
CAS RN 152839-30-0
C_ID C00016895 ,
InChIKey QOZZMIMTOTZWNP-UHFFFAOYNA-N
InChICode InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31-,32+,33+,34-,35+,37+,39-,40-/m1/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)CCCCNC)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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