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CHEBI:176915 - Clindamycin hydrochloride

ChEBI IDCHEBI:176915
ChEBI NameClindamycin hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H33ClN2O5S.HCl
Net Charge0
Average Mass461.452
Monoisotopic Mass460.15655
SMILESCl.[H][C@]1([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H33ClN2O5S.ClH/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(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1
InChIKeyAUODDLQVRAJAJM-XJQDNNTCSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
Clindamycin hydrochloride (CHEBI:176915) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
Manual XrefsDatabases
D02132KEGG DRUG
10482112ChemSpider
C13684KEGG COMPOUND
Registry NumbersSources
CAS:21462-39-5ChemIDplus