input word = C00043422

Metabolite InformationStructural formula
Name Cyanopeptolin 963A
Formula C49H69N7O13
Mw 963.49533534
CAS RN 790300-44-6
C_ID C00043422 ,
InChIKey NGPDQWFWZNXVLZ-AMQXCMFENA-N
InChICode InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/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)Cc1ccc(cc1)O)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
Organism
Kingdom Family Species Reference
--Microcystis sp. PCC7806 Ref.
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