Metabolomics Structure Database

 
MW REGNO: 36981
Common Name:Glycolithocholic acid
Systematic Name:N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine
Synonyms:Lithocholic acid glycine conjugate; Lithocholylglycine; GLCA [PubChem Synonyms]
Exact Mass:
433.3192 (neutral)    Calculate m/z:
Formula:C26H43NO4
InChIKey:XBSQTYHEGZTYJE-OETIFKLTSA-N
LIPID MAPS Category:Sterol Lipids [LMST]
LIPID MAPS mainclass:Steroid conjugates [LMST05]
LIPID MAPS subclass:Glycine conjugates [LMST0503]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:115245
LIPID MAPS ID:LMST05030009
CHEBI ID:37998
HMDB ID:HMDB0000698
KEGG ID:C15557
Chemspider ID:103116
METLIN ID:5666
MetaCyc ID:GLYCOLITHOCHOLATE

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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