input word = C00015929

Metabolite InformationStructural formula
Name 16-O-Desmethyl-27-desmethoxyrapamycin
Formula C49H75NO12
Mw 869.52892687
CAS RN 339541-48-9
C_ID C00015929 ,
InChIKey UHOYMAQUMOLYAF-TUJWSJJANA-N
InChICode InChI=1S/C49H75NO12/c1-29-14-10-9-11-15-30(2)40(52)26-37-19-17-35(7)49(59,62-37)46(56)47(57)50-21-13-12-16-38(50)48(58)61-44(34(6)24-36-18-20-39(51)45(25-36)60-8)28-43(55)33(5)23-32(4)42(54)27-41(53)31(3)22-29/h9-11,14-15,23,29,31,33-40,42,44-45,51-52,54,59H,12-13,16-22,24-28H2,1-8H3/b11-9+,14-10+,30-15+,32-23+/t29-,31-,33+,34+,35-,36-,37+,38+,39-,40-,42?,44+,45-,49-/m1/s1
SMILES C1CN2[C@@H](CC1)C(=O)O[C@@H](CC(=O)[C@H](/C=C(/[C@H](CC(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@H]1O[C@@](C(=O)C2=O)([C@@H](CC1)C)O)O)\C)C)C)O)\C)C)[C@@H](C)C[C@H]1CC[C@H]([C@@H](C1)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus KOS20-001 Ref.
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