input word = C00018435

Metabolite InformationStructural formula
Name 23-Deoxydemycinosyltylosin
Antibiotic YT 3927
Formula C38H63NO12
Mw 725.43502648
CAS RN 79404-97-0
C_ID C00018435 ,
InChIKey BXCAOHIJTXVWHN-DQBCCMLSNA-N
InChICode InChI=1S/C38H63NO12/c1-11-29-22(4)16-20(2)12-13-27(41)21(3)17-26(14-15-40)34(23(5)28(42)18-30(43)49-29)51-37-33(44)32(39(9)10)35(24(6)48-37)50-31-19-38(8,46)36(45)25(7)47-31/h12-13,15-16,21-26,28-29,31-37,42,44-46H,11,14,17-19H2,1-10H3/b13-12+,20-16+/t21-,22+,23+,24-,25-,26-,28-,29+,31+,32-,33-,34+,35-,36-,37-,38+/m1/s1
SMILES CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2OC(C)[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)C(C)O3)[C@H](N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces fradiae GS76 (NRRL 12171) Ref.
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