CHEBI:176915 - Clindamycin hydrochloride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Clindamycin hydrochloride
ChEBI ID CHEBI:176915
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H33ClN2O5S.ClH
Net Charge 0
Average Mass 461.440
Monoisotopic Mass 460.15655
InChI InChI=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
InChIKey AUODDLQVRAJAJM-XJQDNNTCSA-N
SMILES Cl[C@H]([C@@H](NC(=O)[C@H]1N(C[C@@H](C1)CCC)C)[C@]2(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[H])C.Cl
Metabolite of Species Details
Streptococcus mutans (NCBI:txid1309) Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
10482112 ChemSpider
C13684 KEGG COMPOUND
D02132 KEGG DRUG
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Registry Number Type Source
21462-39-5 CAS Registry Number ChemIDplus