Metabolomics Structure Database

 
MW REGNO: 36676
Common Name:Glycoursodeoxycholic acid
Systematic Name:N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-glycine
Synonyms:Glycoursodeoxycholate; GUDCA [PubChem Synonyms]
Exact Mass:
449.3141 (neutral)    Calculate m/z:
Formula:C26H43NO5
InChIKey:GHCZAUBVMUEKKP-XROMFQGDSA-N
LIPID MAPS Category:Sterol Lipids [LMST]
LIPID MAPS mainclass:Bile acids and derivatives [LMST04]
LIPID MAPS subclass:C24 bile acids, alcohols, and derivatives [LMST0401]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:12310288
LIPID MAPS ID:LMST05030016
CHEBI ID:89929
HMDB ID:HMDB0000708
Chemspider ID:19973534
METLIN ID:5676

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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