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 CCCCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(CCCCN(C)C)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)OC1C
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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OrganismMicrocystis sp. PCC 7806
ReferenceMartin,J.Antibiotics 46,(1993),1550