Metabolomics Structure Database
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MW REGNO: | 206789 |
Common Name: | 3-Hydroxyhippuric acid sulfate |
Systematic Name: | sulfo 2-[benzoyl(hydroxy)amino]acetate |
RefMet Name: | 3-Hydroxyhippuric acid sulfate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H9NO7S |
InChIKey: | ZYEMKIHYSVDTSN-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids |
ClassyFire class: | Benzene and substituted derivatives |
ClassyFire subclass: | Benzoic acids and derivatives |
ClassyFire direct parent: | Hippuric acids and derivatives |
SMILES: | c1ccc(cc1)C(=O)N(CC(=O)OS(=O)(=O)O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 129830950 |
CHEBI ID: | 149604 |
HMDB ID: | HMDB0304909 |
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