Metabolomics Structure Database

 
MW REGNO: 71608
Common Name:Glycohyodeoxycholic acid
Systematic Name:N-(3alpha,6alpha-dihydroxy-5beta-cholan-24-oyl)-glycine
RefMet Name:Glycohyodeoxycholic acid
Synonyms:GHDCA [PubChem Synonyms]
Exact Mass:
449.3141 (neutral)    Calculate m/z:
Formula:C26H43NO5
InChIKey:SPOIYSFQOFYOFZ-BRDORRHWSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Bile acids and derivatives [ST04]
LIPID MAPS subclass:C24 bile acids, alcohols, and derivatives [ST0401]
MoNA MS spectra:View MS spectra
SMILES:C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:114611
LIPID MAPS ID:LMST05030023
HMDB ID:HMDB0304944

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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