Metabolomics Structure Database

 
MW REGNO: 53905
Common Name:Cyclopentane
Systematic Name:cyclopentane
Synonyms:Cyclopentan; Zyklopentan; ciclopentano; pentamethylene [PubChem Synonyms]
Exact Mass:
70.0782 (neutral)    Calculate m/z:
Formula:C5H10
InChIKey:RGSFGYAAUTVSQA-UHFFFAOYSA-N
ClassyFire superclass:Hydrocarbons [C0002837]
ClassyFire class:Saturated hydrocarbons [C0004474]
ClassyFire subclass:Cycloalkanes [C0001016]
ClassyFire direct parent:Cycloalkanes [C0001016]
MoNA MS spectra:View MS spectra
SMILES:C1CCCC1
Studies:-

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External database links:

PubChem CID:9253
CHEBI ID:23492
EPA CompTox DB:DTXCID804886
Plant Metabolite Hub(Pmhub):MS000233895

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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