Metabolomics Structure Database
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| MW REGNO: | 146355 |
| Common Name: | Cetrimonium |
| Systematic Name: | hexadecyltrimethylazanium |
| Synonyms: | Cetrimonium cation; Cetrimonium ion; Cetyl-Trimethyl-Ammonium; Cetyltrimethylammonium; Cetyltrimethylammonium cation; Cetyltrimethylammonium ion; Hexadecyltrimethylammonium; Hexadecyltrimethylammonium cation; Hexadecyltrimethylammonium ion; N,N,N-Trimethyl-1-hexadecanaminium; Trimethylhexadecylammonium [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C19H42N |
| InChIKey: | RLGQACBPNDBWTB-UHFFFAOYSA-N |
| ClassyFire superclass: | Organic nitrogen compounds [C0004707] |
| ClassyFire class: | Organonitrogen compounds [C0000278] |
| ClassyFire subclass: | Quaternary ammonium salts [C0000503] |
| ClassyFire direct parent: | Tetraalkylammonium salts [C0004225] |
| MoNA MS spectra: | View MS spectra |
| NP-MRD NMR spectra: | View NMR spectra |
| SMILES: | CCCCCCCCCCCCCCCC[N+](C)(C)C |
| Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
| PubChem CID: | 2681 |
| BMRB ID: | bmse000717 |
| Drugbank ID: | DB01718 |
| NP-MRD ID(NMR): | NP0002868 |
| Plant Metabolite Hub(Pmhub): | MS000007621 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y
