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CHEBI:64682 - metronidazole(1+)

ChEBI IDCHEBI:64682
ChEBI Namemetronidazole(1+)
Stars
DefinitionAn organic cation resulting from the addition of a proton to metronidazole.
Last Modified25 May 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaH.C6H9N3O3
Net Charge+1
Average Mass172.164
Monoisotopic Mass172.07167
SMILESCc1ncc([N+](=O)[O-])n1CCO.[H+]
InChIInChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/p+1
InChIKeyVAOCPAMSLUNLGC-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
metronidazole(1+) (CHEBI:64682) is a organic cation (CHEBI:25697)
metronidazole(1+) (CHEBI:64682) is conjugate acid of metronidazole (CHEBI:6909)
Incoming Relation(s)
metronidazole hydrochloride (CHEBI:50687) has part metronidazole(1+) (CHEBI:64682)
metronidazole (CHEBI:6909) is conjugate base of metronidazole(1+) (CHEBI:64682)