input word = C00016896

Metabolite InformationStructural formula
Name Cyanopeptolin D
Formula C48H76N8O12
Mw 956.55826995
CAS RN 152839-31-1
C_ID C00016896 ,
InChIKey DXELFTOXIMDPAT-UHFFFAOYNA-N
InChICode InChI=1S/C48H76N8O12/c1-10-11-13-21-37(57)49-34(27-39(59)60)43(62)53-41-30(6)68-48(67)40(29(4)5)52-44(63)35(26-31-18-14-12-15-19-31)55(9)47(66)36(25-28(2)3)56-38(58)23-22-33(46(56)65)51-42(61)32(50-45(41)64)20-16-17-24-54(7)8/h12,14-15,18-19,28-30,32-36,38,40-41,58H,10-11,13,16-17,20-27H2,1-9H3,(H,49,57)(H,50,64)(H,51,61)(H,52,63)(H,53,62)(H,59,60)/t30-,32-,33+,34-,35-,36+,38+,40-,41+/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)CCCCN(C)C)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-Arg L-Asp
Organism
Kingdom Family Species Reference
--Microcystis sp. PCC 7806 Ref.
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