input word = C00016719

Metabolite InformationStructural formula
Name 8-deethyl-Concanamycin A
Concanamycin E
Formula C44H71NO14
Mw 837.48745598
CAS RN 144450-35-1
C_ID C00016719 ,
InChIKey NNJUTDASDBXCIX-OPTBAUEPNA-N
InChICode InChI=1S/C44H71NO14/c1-12-14-34-27(6)37(56-38-21-33(48)41(30(9)55-38)58-43(45)51)22-44(52,59-34)29(8)39(49)28(7)40-35(53-10)16-13-15-23(2)17-25(4)31(46)20-32(47)26(5)18-24(3)19-36(54-11)42(50)57-40/h12-16,18-19,25-35,37-41,46-49,52H,17,20-22H2,1-11H3,(H2,45,51)/b14-12+,16-13+,23-15+,24-18+,36-19+/t25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,37-,38+,39-,40-,41-,44-/m1/s1
SMILES C1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C\C(=C\[C@H]([C@H]1O)C)\C)/OC)[C@H]([C@H]([C@@H]([C@]1(C[C@H]([C@@H]([C@H](O1)/C=C/C)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)N)O)O)C)O)C)OC)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. A1509 Ref.
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