Metabolomics Structure Database

 
MW REGNO: 48932
Common Name:2-Pentylthiophene
Systematic Name:2-pentylthiophene
RefMet Name:2-Pentylthiophene
Synonyms: [PubChem Synonyms]
Exact Mass:
154.0816 (neutral)    Calculate m/z:
Formula:C9H14S
InChIKey:NOYVOSGVFSEKPR-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Heteroaromatic compounds [C0004144]
ClassyFire subclass:Heteroaromatic compounds [C0004144]
ClassyFire direct parent:Aromatic heteromonocyclic compounds
Massbank MS spectra:View MS spectra
SMILES:CCCCCc1ccc[s]1
Studies:Available studies (via RefMet name)

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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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