Metabolomics Structure Database

 
MW REGNO: 44837
Common Name:Cyclohexanecarboxylic acid
Systematic Name:cyclohexanecarboxylic acid
RefMet Name:Cyclohexanecarboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
128.0837 (neutral)    Calculate m/z:
Formula:C7H12O2
InChIKey:NZNMSOFKMUBTKW-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Carboxylic acids [C0001205]
ClassyFire direct parent:Carboxylic acids [C0001205]
Massbank MS spectra:View MS spectra
SMILES:C1CCC(CC1)C(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo