Metabolomics Structure Database

 
MW REGNO: 37071
Common Name:Citric acid
Systematic Name:2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
192.0270 (neutral)    Calculate m/z:
Formula:C6H8O7
InChIKey:KRKNYBCHXYNGOX-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Tricarboxylic acids and derivatives [C0001986]
ClassyFire direct parent:Tricarboxylic acids and derivatives [C0001986]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:311
CHEBI ID:30769
HMDB ID:HMDB0000094
KEGG ID:C00158
Chemspider ID:305
METLIN ID:124
BMRB ID:bmse000076
MetaCyc ID:CIT
EPA CompTox DB:DTXCID50332

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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