Metabolomics Structure Database

 
MW REGNO: 36989
Common Name:Taurochenodeoxycholic acid
Systematic Name:N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
Synonyms:Taurochenodeoxycholate; 2-[(3a,7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate; TCDCA [PubChem Synonyms]
Exact Mass:
499.2968 (neutral)    Calculate m/z:
Formula:C26H45NO6S
InChIKey:BHTRKEVKTKCXOH-BJLOMENOSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Steroid conjugates [ST05]
LIPID MAPS subclass:Taurine conjugates [ST0504]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:387316
LIPID MAPS ID:LMST05040005
CHEBI ID:16525
HMDB ID:HMDB0000951
KEGG ID:C05465
Chemspider ID:343282
METLIN ID:5897
MetaCyc ID:CPD-7283

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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