Metabolomics Structure Database
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MW REGNO: | 51721 |
Common Name: | 3D-3,5/4-trihydroxycyclohexane-1,2-dione |
Systematic Name: | (3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione |
Synonyms: | 3D-3,5/4-trihydroxycyclohexane-1,2-dione [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H8O5 |
InChIKey: | SHFQRUVRUBHHRE-CJPQEGFPSA-N |
ClassyFire superclass: | Organic oxygen compounds [C0004603] |
ClassyFire class: | Organooxygen compounds [C0000323] |
ClassyFire subclass: | Alcohols and polyols [C0000129] |
ClassyFire direct parent: | Cyclitols and derivatives [C0002509] |
SMILES: | C1[C@H]([C@@H]([C@H](C(=O)C1=O)O)O)O |
Studies: | - |
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External database links:
PubChem CID: | 24771766 |
CHEBI ID: | 28446 |
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