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CHEBI:216047 - Clindamycin sulfoxide

ChEBI IDCHEBI:216047
ChEBI NameClindamycin sulfoxide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33ClN2O6S
Net Charge0
Average Mass440.990
Monoisotopic Mass440.17479
SMILESCCC[C@@H]1C[C@@H](C(=O)NC(C(C)Cl)[C@H]2O[C@H](S(C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
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?/m1/s1
InChIKeyXSLGFIQRVCXUEU-YPMPSZBMSA-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
57580190ChemSpider