Metabolomics Structure Database
|
MW REGNO: | 75083 |
Common Name: | Glycodeoxycholate sulfate |
Systematic Name: | N-(3alpha-sulfooxy-12alpha-hydroxy-5beta-cholan-24-oyl)-glycine |
RefMet Name: | Glycodeoxycholic acid 3-sulfate |
Synonyms: | Glycodeoxycholic acid sulfate [PubChem Synonyms] |
Exact Mass: | |
Formula: | C26H43NO8S |
InChIKey: | QJZCNFGUZPMYAX-BUXLTGKBSA-N |
SMILES: | C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@]12C)O)OS(=O)(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
Calculated physicochemical properties:
No data available
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