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CHEBI:216047 - Clindamycin sulfoxide

Default Structure
ChEBI IDCHEBI:216047
ChEBI NameClindamycin sulfoxide
Stars
Last Modified24 March 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33ClN2O6S
Net Charge0
Average Mass440.990
Monoisotopic Mass440.17479
SMILES[H][C@]1([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@H](S(C)=O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyXSLGFIQRVCXUEU-NXMZTFJRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces armentosus (ncbitaxon:285553) - DOI (10.7164/antibiotics.22.309)
ChEBI Ontology
Outgoing Relation(s)
Clindamycin sulfoxide (CHEBI:216047) is a oxanes (CHEBI:46942)
IUPAC Name 
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulinyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
Manual XrefsDatabases
9836904ChemSpider
Registry NumbersSources
CAS:22431-46-5ChEBI