input word = C00018769

Metabolite InformationStructural formula
Name 1'-Demethylclindamycin
7-Chloro-N-demethyllincomycin
N-Demethylclindamycin
U 26727A
Formula C17H31ClN2O5S
Mw 410.16422056
CAS RN 22431-45-4
C_ID C00018769 ,
InChIKey HDBHHHCDEYATPY-USXXGGJBNA-N
InChICode InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12+,13-,14+,15+,17-/m0/s1
SMILES [C@H]1(C[C@H](NC1)C(=O)N[C@H]([C@H](C)Cl)[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)SC)O)O)O)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces lincolnensis Ref.
BacteriaStreptomycetaceaeStreptomyces punipalus Ref.
zoom in