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benzalkonium chloride

antibioticmech:aro-34500a4f2b ·ANTIBACTERIAL ·MINTED SEEDED

Benzalkonium chloride is a type of cationic surfactant. It is an organic salt called a quaternary ammonium compound. It has three main categories of use: as a biocide, a cationic surfactant, and as a phase transfer agent. — PMID:9079913

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

disinfecting agents and antisepticsARO:3005386

Strictly broader compounds or drug classes this molecule belongs to.

Chemical structure

Computed structure properties
Molecular formulaC22H40N+
Charge1
Average mass318.6 Da
Monoisotopic mass318.31607528 Da
SourcePubChem · retrieved 2026-08-29
InChIKeyVVZBFOKBSDGVGZ-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=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

Also called

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
SourceNative IDLabelMinted CURIEVersion
ARO ARO:3003823 benzalkonium chloride antibioticmech:aro-34500a4f2b 2026-08-30

Resistance mechanisms

6 source-backed resistance determinants or associations, with ARO grounding where reported. Grouped by reported mechanism type.

ANTIBIOTIC_EFFLUX 6
ANTIBIOTIC_EFFLUX
DeterminantARO IDOrganismGene familiesEvidence
Acinetobacter baumannii AbuO ARO:3004578 not organism-specific —
  • ARO:3004578 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)
Escherichia coli mdfA ARO:3001328 not organism-specific —
  • ARO:3001328 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)
Klebsiella pneumoniae KpnEF ARO:3004585 not organism-specific —
  • ARO:3004585 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)
PmpM ARO:3004077 not organism-specific —
  • ARO:3004077 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)
qacG ARO:3007015 not organism-specific —
  • ARO:3007015 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)
qacJ ARO:3007014 not organism-specific —
  • ARO:3007014 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3003823 (benzalkonium chloride); database assertion, not a primary citation.)

Curation history

  1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Seeded from data/raw/ inventories (ARO)

  2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  4. RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  5. RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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