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CHEBI:188978 - BENZALKONIUM

ChEBI IDCHEBI:188978
ChEBI NameBENZALKONIUM
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40N
Net Charge+1
Average Mass318.569
Monoisotopic Mass318.31553
SMILESCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
InChIInChI=1S/C22H40N/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22/h14-16,18-19H,4-13,17,20-21H2,1-3H3/q+1
InChIKeyVVZBFOKBSDGVGZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BENZALKONIUM (CHEBI:188978) is a aromatic amine (CHEBI:33860)
IUPAC Name 
benzyl-dimethyl-tridecylazanium
Manual XrefsDatabases
2240ChemSpider