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CHEBI:216042 - 1'-Demethylclindamycin

ChEBI IDCHEBI:216042
ChEBI Name1'-Demethylclindamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H31ClN2O5S
Net Charge0
Average Mass410.964
Monoisotopic Mass410.16422
SMILESCCC[C@H]1CN[C@H](C(=O)NC(C(C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1
InChIInChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8?,9-,10+,11?,12+,13-,14-,15-,17-/m1/s1
InChIKeyHDBHHHCDEYATPY-KSOBAXNASA-N
Species of MetaboliteComponentSourceComments
Streptomyces armentosus (ncbitaxon:285553) - DOI (10.7164/antibiotics.22.309)
ChEBI Ontology
Outgoing Relation(s)
1'-Demethylclindamycin (CHEBI:216042) is a proline derivative (CHEBI:26273)
IUPAC Name 
(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-4-propylpyrrolidine-2-carboxamide
Manual XrefsDatabases
8268552ChemSpider