Metabolomics Structure Database

 
MW REGNO: 52563
Common Name:Propidium
Systematic Name:3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium
Synonyms: [PubChem Synonyms]
Exact Mass:
414.2783 (neutral)    Calculate m/z:
Formula:C27H34N4
InChIKey:ZDWVWKDAWBGPDN-UHFFFAOYSA-O
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Quinolines and derivatives [C0001253]
ClassyFire subclass:Phenylquinolines [C0002348]
ClassyFire direct parent:Phenylquinolines [C0002348]
SMILES:CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c2ccc(cc2c1c1ccccc1)N)N
Studies:-

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External database links:

PubChem CID:4939
CHEBI ID:51246
EPA CompTox DB:DTXCID80112074

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

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