Metabolomics Structure Database
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MW REGNO: | 52876 |
Common Name: | 4-oxocyclohexanecarboxylic acid |
Systematic Name: | 4-oxocyclohexanecarboxylic acid |
Synonyms: | 1-cyclohexanone-4-carboxylic acid; 4-Ketocyclohexanecarboxylic acid; 4-Oxocyclohexanecarboxylate; cyclohexanone-4-carboxylic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H10O3 |
InChIKey: | OWLXUYGCLDGHJJ-UHFFFAOYSA-N |
ClassyFire superclass: | Organic oxygen compounds [C0004603] |
ClassyFire class: | Organooxygen compounds [C0000323] |
ClassyFire subclass: | Carbonyl compounds [C0001831] |
ClassyFire direct parent: | Cyclic ketones [C0003487] |
SMILES: | C1CC(=O)CCC1C(=O)O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 192730 |
CHEBI ID: | 1921 |
Plant Metabolite Hub(Pmhub): | MS000018070 |
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