Metabolomics Structure Database

 
MW REGNO: 37080
Common Name:Glycolic acid
Systematic Name:2-hydroxyacetic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
76.0160 (neutral)    Calculate m/z:
Formula:C2H4O3
InChIKey:AEMRFAOFKBGASW-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Hydroxy acids and derivatives [C0000472]
ClassyFire subclass:Alpha hydroxy acids and derivatives [C0001359]
ClassyFire direct parent:Alpha hydroxy acids and derivatives [C0001359]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:757
CHEBI ID:17497
HMDB ID:HMDB0000115
KEGG ID:C00160
Chemspider ID:737
METLIN ID:3219
BMRB ID:bmse000245
MetaCyc ID:GLYCOLLATE
EPA CompTox DB:DTXCID105363

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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