Metabolomics Structure Database

 
MW REGNO: 36974
Common Name:Glycocholic Acid
Systematic Name:N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine
Synonyms:Cholylglycine; GCA [PubChem Synonyms]
Exact Mass:
465.3090 (neutral)    Calculate m/z:
Formula:C26H43NO6
InChIKey:RFDAIACWWDREDC-FRVQLJSFSA-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:10140
LIPID MAPS ID:LMST05030001
CHEBI ID:17687
HMDB ID:HMDB00138
KEGG ID:C01921
BMRB ID:bmse000651
MetaCyc ID:GLYCOCHOLIC_ACID

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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