input word = C00018768

Metabolite InformationStructural formula
Name Clindamycin sulfoxide
U 25026A
Formula C18H33ClN2O6S
Mw 440.17478524
CAS RN 22431-46-5
C_ID C00018768 ,
InChIKey XSLGFIQRVCXUEU-VBNACKQYNA-N
InChICode InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10-,11+,12+,13+,14-,15+,16+,18-,28-/m0/s1
SMILES [C@@H]1(C[C@@H](N(C1)C)C(=O)N[C@H]([C@H](C)Cl)[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)[S@@](=O)C)O)O)O)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces punipalus Ref.
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